5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

C118H119F4N23O7 — CID 159007296

IUPAC5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2cccc(C(N)=O)c2)n1.Cc1ccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(N)=O)nn3-c3cccc(CN)c3)c2)cc1.NCc1cccc(-n2nc(C(N)=O)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1.[H]/N=C(\N)c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1
InChIInChI=1S/C31H33FN6O2.C29H29FN6O2.C29H29FN6O.C29H28FN5O2/c1-19-5-9-22(10-6-19)31(35,14-13-20-7-8-20)23-11-12-25(32)26(16-23)36-30(40)28-17-27(29(34)39)37-38(28)24-4-2-3-21(15-24)18-33;30-23-12-11-21(27(33-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)34-29(38)26-15-25(28(32)37)35-36(26)22-8-4-5-19(13-22)16-31;1-18-14-26(36(35-18)23-9-5-8-22(15-23)28(31)32)29(37)34-25-16-21(12-13-24(25)30)27(33-17-19-10-11-19)20-6-3-2-4-7-20;1-18-14-26(35(34-18)23-9-5-8-22(15-23)28(31)36)29(37)33-25-16-21(12-13-24(25)30)27(32-17-19-10-11-19)20-6-3-2-4-7-20/h2-6,9-12,15-17,20H,7-8,13-14,18,33,35H2,1H3,(H2,34,39)(H,36,40);1-8,11-15,18,27,33H,9-10,16-17,31H2,(H2,32,37)(H,34,38);2-9,12-16,19,27,33H,10-11,17H2,1H3,(H3,31,32)(H,34,37);2-9,12-16,19,27,32H,10-11,17H2,1H3,(H2,31,36)(H,33,37)
InChIKeyJSBSGRIAQLMVFX-UHFFFAOYSA-N
MW2047.40 g/mol
LogP18.14
Rot. Bonds38

About 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 159007296) has the molecular formula C118H119F4N23O7 and a molecular weight of 2047.40 g/mol. Its IUPAC name is 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
PubChem CID159007296
Molecular FormulaC118H119F4N23O7
Molecular Weight2047.40 g/mol
Exact Mass2045.96
IUPAC Name5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2cccc(C(N)=O)c2)n1.Cc1ccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(N)=O)nn3-c3cccc(CN)c3)c2)cc1.NCc1cccc(-n2nc(C(N)=O)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1.[H]/N=C(\N)c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1
InChIInChI=1S/C31H33FN6O2.C29H29FN6O2.C29H29FN6O.C29H28FN5O2/c1-19-5-9-22(10-6-19)31(35,14-13-20-7-8-20)23-11-12-25(32)26(16-23)36-30(40)28-17-27(29(34)39)37-38(28)24-4-2-3-21(15-24)18-33;30-23-12-11-21(27(33-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)34-29(38)26-15-25(28(32)37)35-36(26)22-8-4-5-19(13-22)16-31;1-18-14-26(36(35-18)23-9-5-8-22(15-23)28(31)32)29(37)34-25-16-21(12-13-24(25)30)27(33-17-19-10-11-19)20-6-3-2-4-7-20;1-18-14-26(35(34-18)23-9-5-8-22(15-23)28(31)36)29(37)33-25-16-21(12-13-24(25)30)27(32-17-19-10-11-19)20-6-3-2-4-7-20/h2-6,9-12,15-17,20H,7-8,13-14,18,33,35H2,1H3,(H2,34,39)(H,36,40);1-8,11-15,18,27,33H,9-10,16-17,31H2,(H2,32,37)(H,34,38);2-9,12-16,19,27,33H,10-11,17H2,1H3,(H3,31,32)(H,34,37);2-9,12-16,19,27,32H,10-11,17H2,1H3,(H2,31,36)(H,33,37)
InChIKeyJSBSGRIAQLMVFX-UHFFFAOYSA-N
XLogP18.14
TPSA480.97 Ų
H-Bond Donors15
H-Bond Acceptors22
Rotatable Bonds38
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002047.40
LogP ≤ 518.14
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[5-[1-amino-1-(4-carbamoylphenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-[3-(aminomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 126681757
N-[5-[1-amino-1-(4-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(3-carbamimidoylphenyl)-5-methylpyrazole-3-carboxamide;2-(3-carbamimidoylphenyl)-5-methylpyrazole-3-carboxylic acid;methane
CID 160994176
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681418
amino 3-[5-[[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]carbamoyl]-3-methylpyrazol-1-yl]benzenecarboximidate;N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;hydroxylamine
CID 159679157
1-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665857
N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-[3-(aminomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 126681738
2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;tert-butyl N-[[3-[5-[[5-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]-2-fluorophenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride
CID 162220953
2-[3-(aminomethyl)phenyl]-N-[5-[[3-(aminomethyl)phenyl]-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-(4-cyclopropyl-1-hydroxy-2-pyridin-3-ylbutan-2-yl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 159347856
N-[3-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]-2-[3-(aminomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 126681440
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681410
N-[3-[(4-acetamidophenyl)-(cyclopropylmethylamino)methyl]phenyl]-2-[3-(aminomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 161159116
1-[3-(aminomethyl)phenyl]-N-[5-[(3-aminophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665555

Frequently Asked Questions

What is the IUPAC name of 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (CID 159007296) is 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2cccc(C(N)=O)c2)n1.Cc1ccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(N)=O)nn3-c3cccc(CN)c3)c2)cc1.NCc1cccc(-n2nc(C(N)=O)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1.[H]/N=C(\N)c1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccccc3)ccc2F)c1.
What is the InChIKey of 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is JSBSGRIAQLMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN6O2.C29H29FN6O2.C29H29FN6O.C29H28FN5O2/c1-19-5-9-22(10-6-19)31(35,14-13-20-7-8-20)23-11-12-25(32)26(16-23)36-30(40)28-17-27(29(34)39)37-38(28)24-4-2-3-21(15-24)18-33;30-23-12-11-21(27(33-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)34-29(38)26-15-25(28(32)37)35-36(26)22-8-4-5-19(13-22)16-31;1-18-14-26(36(35-18)23-9-5-8-22(15-23)28(31)32)29(37)34-25-16-21(12-13-24(25)30)27(33-17-19-10-11-19)20-6-3-2-4-7-20;1-18-14-26(35(34-18)23-9-5-8-22(15-23)28(31)36)29(37)33-25-16-21(12-13-24(25)30)27(32-17-19-10-11-19)20-6-3-2-4-7-20/h2-6,9-12,15-17,20H,7-8,13-14,18,33,35H2,1H3,(H2,34,39)(H,36,40);1-8,11-15,18,27,33H,9-10,16-17,31H2,(H2,32,37)(H,34,38);2-9,12-16,19,27,33H,10-11,17H2,1H3,(H3,31,32)(H,34,37);2-9,12-16,19,27,32H,10-11,17H2,1H3,(H2,31,36)(H,33,37).
What are the key properties of 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2047.40 g/mol, XLogP of 18.14, 38 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-[1-amino-3-cyclopropyl-1-(4-methylphenyl)propyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide;1-[3-(aminomethyl)phenyl]-5-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide;2-(3-carbamimidoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 159007296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).