N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

C26H24N6O4 — CID 162656980

IUPACN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn[nH]c1C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C26H24N6O4/c1-36-22-9-5-2-6-18(22)25(34)31-21-15-29-32-23(21)26(35)28-14-16-10-12-17(13-11-16)24(33)30-20-8-4-3-7-19(20)27/h2-13,15H,14,27H2,1H3,(H,28,35)(H,29,32)(H,30,33)(H,31,34)
InChIKeyALYQPHNACFSEKS-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.44
Rot. Bonds8

About N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 162656980) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID162656980
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn[nH]c1C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C26H24N6O4/c1-36-22-9-5-2-6-18(22)25(34)31-21-15-29-32-23(21)26(35)28-14-16-10-12-17(13-11-16)24(33)30-20-8-4-3-7-19(20)27/h2-13,15H,14,27H2,1H3,(H,28,35)(H,29,32)(H,30,33)(H,31,34)
InChIKeyALYQPHNACFSEKS-UHFFFAOYSA-N
XLogP3.44
TPSA151.23 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 162647906
N-(2-aminophenyl)-4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 67105958
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
CID 15895800
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
methyl 4-[(E)-3-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]-2-(2-fluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 25265171
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 162656980) is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is COc1ccccc1C(=O)Nc1cn[nH]c1C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is ALYQPHNACFSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-36-22-9-5-2-6-18(22)25(34)31-21-15-29-32-23(21)26(35)28-14-16-10-12-17(13-11-16)24(33)30-20-8-4-3-7-19(20)27/h2-13,15H,14,27H2,1H3,(H,28,35)(H,29,32)(H,30,33)(H,31,34).
What are the key properties of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162656980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).