2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

C112H123FN22O4S — CID 158095909

IUPAC2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(NCC3CC3)c3nccs3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)C3=CCC=C3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3cnn(C)c3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1
InChIInChI=1S/C30H33N5O.C29H32N4O.C27H31N7O.C26H27FN6OS/c1-20-6-3-8-24(14-20)29(32-19-22-12-13-22)25-9-5-10-26(17-25)33-30(36)28-15-21(2)34-35(28)27-11-4-7-23(16-27)18-31;1-20-16-28(33(32-20)26-11-4-6-22(17-26)19-30)29(34)31-25-10-5-9-24(18-25)27(15-14-21-12-13-21)23-7-2-3-8-23;1-18-11-25(34(32-18)24-8-3-5-20(12-24)14-28)27(35)31-23-7-4-6-21(13-23)26(29-15-19-9-10-19)22-16-30-33(2)17-22;1-16-11-23(33(32-16)20-4-2-3-18(12-20)14-28)25(34)31-22-13-19(7-8-21(22)27)24(26-29-9-10-35-26)30-15-17-5-6-17/h3-11,14-17,22,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);2,4-11,16-18,21,27H,3,12-15,19,30H2,1H3,(H,31,34);3-8,11-13,16-17,19,26,29H,9-10,14-15,28H2,1-2H3,(H,31,35);2-4,7-13,17,24,30H,5-6,14-15,28H2,1H3,(H,31,34)
InChIKeyFOQSLMVLDCUBRL-UHFFFAOYSA-N
MW1892.43 g/mol
LogP19.63
Rot. Bonds36

About 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 158095909) has the molecular formula C112H123FN22O4S and a molecular weight of 1892.43 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
PubChem CID158095909
Molecular FormulaC112H123FN22O4S
Molecular Weight1892.43 g/mol
Exact Mass1890.98
IUPAC Name2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(NCC3CC3)c3nccs3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)C3=CCC=C3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3cnn(C)c3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1
InChIInChI=1S/C30H33N5O.C29H32N4O.C27H31N7O.C26H27FN6OS/c1-20-6-3-8-24(14-20)29(32-19-22-12-13-22)25-9-5-10-26(17-25)33-30(36)28-15-21(2)34-35(28)27-11-4-7-23(16-27)18-31;1-20-16-28(33(32-20)26-11-4-6-22(17-26)19-30)29(34)31-25-10-5-9-24(18-25)27(15-14-21-12-13-21)23-7-2-3-8-23;1-18-11-25(34(32-18)24-8-3-5-20(12-24)14-28)27(35)31-23-7-4-6-21(13-23)26(29-15-19-9-10-19)22-16-30-33(2)17-22;1-16-11-23(33(32-16)20-4-2-3-18(12-20)14-28)25(34)31-22-13-19(7-8-21(22)27)24(26-29-9-10-35-26)30-15-17-5-6-17/h3-11,14-17,22,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);2,4-11,16-18,21,27H,3,12-15,19,30H2,1H3,(H,31,34);3-8,11-13,16-17,19,26,29H,9-10,14-15,28H2,1-2H3,(H,31,35);2-4,7-13,17,24,30H,5-6,14-15,28H2,1H3,(H,31,34)
InChIKeyFOQSLMVLDCUBRL-UHFFFAOYSA-N
XLogP19.63
TPSA358.56 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.43
LogP ≤ 519.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Analyze 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-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-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (CID 158095909) is 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3nccs3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)C3=CCC=C3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3cnn(C)c3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is FOQSLMVLDCUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O.C29H32N4O.C27H31N7O.C26H27FN6OS/c1-20-6-3-8-24(14-20)29(32-19-22-12-13-22)25-9-5-10-26(17-25)33-30(36)28-15-21(2)34-35(28)27-11-4-7-23(16-27)18-31;1-20-16-28(33(32-20)26-11-4-6-22(17-26)19-30)29(34)31-25-10-5-9-24(18-25)27(15-14-21-12-13-21)23-7-2-3-8-23;1-18-11-25(34(32-18)24-8-3-5-20(12-24)14-28)27(35)31-23-7-4-6-21(13-23)26(29-15-19-9-10-19)22-16-30-33(2)17-22;1-16-11-23(33(32-16)20-4-2-3-18(12-20)14-28)25(34)31-22-13-19(7-8-21(22)27)24(26-29-9-10-35-26)30-15-17-5-6-17/h3-11,14-17,22,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);2,4-11,16-18,21,27H,3,12-15,19,30H2,1H3,(H,31,34);3-8,11-13,16-17,19,26,29H,9-10,14-15,28H2,1-2H3,(H,31,35);2-4,7-13,17,24,30H,5-6,14-15,28H2,1H3,(H,31,34).
What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?
2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 1892.43 g/mol, XLogP of 19.63, 36 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-N-[3-(1-cyclopenta-1,4-dien-1-yl-3-cyclopropylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 158095909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).