2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide

C85H91FN16O3 — CID 158554434

IUPAC2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(CCC3CC3)n3ccnc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3)c2F)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C29H30FN5O.C29H31N5O.C27H30N6O/c1-19-15-26(35(34-19)23-10-5-7-21(16-23)17-31)29(36)33-25-12-6-11-24(27(25)30)28(32-18-20-13-14-20)22-8-3-2-4-9-22;1-20-15-27(34(33-20)26-12-5-7-22(16-26)18-30)29(35)32-25-11-6-10-24(17-25)28(31-19-21-13-14-21)23-8-3-2-4-9-23;1-19-14-26(33(31-19)24-7-2-4-21(15-24)17-28)27(34)30-23-6-3-5-22(16-23)25(11-10-20-8-9-20)32-13-12-29-18-32/h2-12,15-16,20,28,32H,13-14,17-18,31H2,1H3,(H,33,36);2-12,15-17,21,28,31H,13-14,18-19,30H2,1H3,(H,32,35);2-7,12-16,18,20,25H,8-11,17,28H2,1H3,(H,30,34)
InChIKeyHQCNJUBOMQFYLD-UHFFFAOYSA-N
MW1403.77 g/mol
LogP14.97
Rot. Bonds27

About 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 158554434) has the molecular formula C85H91FN16O3 and a molecular weight of 1403.77 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID158554434
Molecular FormulaC85H91FN16O3
Molecular Weight1403.77 g/mol
Exact Mass1402.74
IUPAC Name2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(CCC3CC3)n3ccnc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3)c2F)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C29H30FN5O.C29H31N5O.C27H30N6O/c1-19-15-26(35(34-19)23-10-5-7-21(16-23)17-31)29(36)33-25-12-6-11-24(27(25)30)28(32-18-20-13-14-20)22-8-3-2-4-9-22;1-20-15-27(34(33-20)26-12-5-7-22(16-26)18-30)29(35)32-25-11-6-10-24(17-25)28(31-19-21-13-14-21)23-8-3-2-4-9-23;1-19-14-26(33(31-19)24-7-2-4-21(15-24)17-28)27(34)30-23-6-3-5-22(16-23)25(11-10-20-8-9-20)32-13-12-29-18-32/h2-12,15-16,20,28,32H,13-14,17-18,31H2,1H3,(H,33,36);2-12,15-17,21,28,31H,13-14,18-19,30H2,1H3,(H,32,35);2-7,12-16,18,20,25H,8-11,17,28H2,1H3,(H,30,34)
InChIKeyHQCNJUBOMQFYLD-UHFFFAOYSA-N
XLogP14.97
TPSA260.70 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001403.77
LogP ≤ 514.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 158554434) is 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)n3ccnc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3)c2F)n(-c2cccc(CN)c2)n1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is HQCNJUBOMQFYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O.C29H31N5O.C27H30N6O/c1-19-15-26(35(34-19)23-10-5-7-21(16-23)17-31)29(36)33-25-12-6-11-24(27(25)30)28(32-18-20-13-14-20)22-8-3-2-4-9-22;1-20-15-27(34(33-20)26-12-5-7-22(16-26)18-30)29(35)32-25-11-6-10-24(17-25)28(31-19-21-13-14-21)23-8-3-2-4-9-23;1-19-14-26(33(31-19)24-7-2-4-21(15-24)17-28)27(34)30-23-6-3-5-22(16-23)25(11-10-20-8-9-20)32-13-12-29-18-32/h2-12,15-16,20,28,32H,13-14,17-18,31H2,1H3,(H,33,36);2-12,15-17,21,28,31H,13-14,18-19,30H2,1H3,(H,32,35);2-7,12-16,18,20,25H,8-11,17,28H2,1H3,(H,30,34).
What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide?
2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 1403.77 g/mol, XLogP of 14.97, 27 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-imidazol-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 158554434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).