2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride

C85H85ClN12O11 — CID 162166304

IUPAC2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cl.Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C30H30N4O4.C25H22N4O2.C17H21N3O4.C13H11NO.ClH/c1-20-16-26(28(36)32-24-14-9-13-23(18-24)27(35)22-11-6-5-7-12-22)34(33-20)25-15-8-10-21(17-25)19-31-29(37)38-30(2,3)4;1-17-13-23(29(28-17)22-12-5-7-18(14-22)16-26)25(31)27-21-11-6-10-20(15-21)24(30)19-8-3-2-4-9-19;1-11-8-14(15(21)22)20(19-11)13-7-5-6-12(9-13)10-18-16(23)24-17(2,3)4;14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h5-18H,19H2,1-4H3,(H,31,37)(H,32,36);2-15H,16,26H2,1H3,(H,27,31);5-9H,10H2,1-4H3,(H,18,23)(H,21,22);1-9H,14H2;1H
InChIKeyILGMSKHTAIEULC-UHFFFAOYSA-N
MW1486.14 g/mol
LogP15.64
Rot. Bonds19

About 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride

2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride (PubChem CID 162166304) has the molecular formula C85H85ClN12O11 and a molecular weight of 1486.14 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride
PubChem CID162166304
Molecular FormulaC85H85ClN12O11
Molecular Weight1486.14 g/mol
Exact Mass1484.61
IUPAC Name2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cl.Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C30H30N4O4.C25H22N4O2.C17H21N3O4.C13H11NO.ClH/c1-20-16-26(28(36)32-24-14-9-13-23(18-24)27(35)22-11-6-5-7-12-22)34(33-20)25-15-8-10-21(17-25)19-31-29(37)38-30(2,3)4;1-17-13-23(29(28-17)22-12-5-7-18(14-22)16-26)25(31)27-21-11-6-10-20(15-21)24(30)19-8-3-2-4-9-19;1-11-8-14(15(21)22)20(19-11)13-7-5-6-12(9-13)10-18-16(23)24-17(2,3)4;14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h5-18H,19H2,1-4H3,(H,31,37)(H,32,36);2-15H,16,26H2,1H3,(H,27,31);5-9H,10H2,1-4H3,(H,18,23)(H,21,22);1-9H,14H2;1H
InChIKeyILGMSKHTAIEULC-UHFFFAOYSA-N
XLogP15.64
TPSA328.87 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001486.14
LogP ≤ 515.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[3-[3-methyl-5-[[3-(N-propylanilino)phenyl]carbamoyl]pyrazol-1-yl]phenyl]methyl]carbamate
CID 126681570
tert-butyl N-[[3-[5-[[3-(2-cyano-1-phenylethyl)phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
CID 126681583
2-[3-(aminomethyl)phenyl]-N-[3-(3-amino-3-oxo-1-phenylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-(3-amino-3-oxo-1-phenylpropyl)phenyl]-2-(3-ethylphenyl)-5-methylpyrazole-3-carboxamide;tert-butyl N-[[3-[5-[[3-(2-cyano-1-phenylethyl)phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;methane;hydrochloride
CID 160936612
tert-butyl N-[[3-[5-[(3-benzylphenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate
CID 126665554
CID 160513749
CID 160513749
lithium;2-[3-(aminomethyl)phenyl]-N-[3-[hydroxy(pyridin-3-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-pyridin-3-ylmethanol;3-bromopyridine;butane;tert-butyl N-[[3-[5-[[3-[hydroxy(pyridin-3-yl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;molecular hydrogen;3-nitrobenzaldehyde;(3-nitrophenyl)-pyridin-3-ylmethanol;palladium;hydrochloride
CID 158900097
tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
CID 126681625
tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-[3-(trifluoromethyl)phenyl]methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
CID 126681630
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
tert-butyl N-[[3-[5-[[3-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
CID 126681686
2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[2-methylpropoxy(phenyl)methyl]phenyl]pyrazole-3-carboxamide
CID 126681539
2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy(phenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681408

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride (CID 162166304) is 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride is Cc1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cl.Nc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride?
The InChIKey is ILGMSKHTAIEULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4.C25H22N4O2.C17H21N3O4.C13H11NO.ClH/c1-20-16-26(28(36)32-24-14-9-13-23(18-24)27(35)22-11-6-5-7-12-22)34(33-20)25-15-8-10-21(17-25)19-31-29(37)38-30(2,3)4;1-17-13-23(29(28-17)22-12-5-7-18(14-22)16-26)25(31)27-21-11-6-10-20(15-21)24(30)19-8-3-2-4-9-19;1-11-8-14(15(21)22)20(19-11)13-7-5-6-12(9-13)10-18-16(23)24-17(2,3)4;14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h5-18H,19H2,1-4H3,(H,31,37)(H,32,36);2-15H,16,26H2,1H3,(H,27,31);5-9H,10H2,1-4H3,(H,18,23)(H,21,22);1-9H,14H2;1H.
What are the key properties of 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride?
2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride has a molecular weight of 1486.14 g/mol, XLogP of 15.64, 19 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-N-(3-benzoylphenyl)-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-phenylmethanone;tert-butyl N-[[3-[5-[(3-benzoylphenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;5-methyl-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 162166304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).