2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide

C30H35N5O — CID 126681702

IUPAC2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide
SMILESCCCCCNC(c1ccccc1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1
InChIInChI=1S/C30H35N5O/c1-3-4-8-17-32-29(24-12-6-5-7-13-24)25-14-10-15-26(20-25)33-30(36)28-18-22(2)34-35(28)27-16-9-11-23(19-27)21-31/h5-7,9-16,18-20,29,32H,3-4,8,17,21,31H2,1-2H3,(H,33,36)
InChIKeyUYUOYOWXOOUFCV-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.76
Rot. Bonds11

About 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide (PubChem CID 126681702) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide
PubChem CID126681702
Molecular FormulaC30H35N5O
Molecular Weight481.64 g/mol
Exact Mass481.28
IUPAC Name2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide
SMILESCCCCCNC(c1ccccc1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1
InChIInChI=1S/C30H35N5O/c1-3-4-8-17-32-29(24-12-6-5-7-13-24)25-14-10-15-26(20-25)33-30(36)28-18-22(2)34-35(28)27-16-9-11-23(19-27)21-31/h5-7,9-16,18-20,29,32H,3-4,8,17,21,31H2,1-2H3,(H,33,36)
InChIKeyUYUOYOWXOOUFCV-UHFFFAOYSA-N
XLogP5.76
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(2-methylbutylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide
CID 126681707
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681418
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
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681626
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
2-[3-(aminomethyl)phenyl]-N-[3-[(10-chloroanthracen-9-yl)-(cyclopropylmethylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681647
N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-sulfamoylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-sulfamoylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide
CID 159234414
2-[3-(aminomethyl)phenyl]-N-[3-[[cyclopropyl(methyl)amino]-(2,3-dihydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126665468
2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-morpholin-4-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 126681614
1-[3-(aminomethyl)phenyl]-N-[3-[(oxolan-2-ylmethylamino)-phenylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118355976

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide (CID 126681702) is 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide is CCCCCNC(c1ccccc1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is UYUOYOWXOOUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O/c1-3-4-8-17-32-29(24-12-6-5-7-13-24)25-14-10-15-26(20-25)33-30(36)28-18-22(2)34-35(28)27-16-9-11-23(19-27)21-31/h5-7,9-16,18-20,29,32H,3-4,8,17,21,31H2,1-2H3,(H,33,36).
What are the key properties of 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide?
2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 5.76, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(pentylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126681702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).