N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide

C23H28N6O2 — CID 162514443

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide
SMILESCNc1ccc(-c2cc(C(=O)NCCCCCC(=O)Nc3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C23H28N6O2/c1-25-17-12-10-16(11-13-17)20-15-21(29-28-20)23(31)26-14-6-2-3-9-22(30)27-19-8-5-4-7-18(19)24/h4-5,7-8,10-13,15,25H,2-3,6,9,14,24H2,1H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyDMGVZPFHKHCARN-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.63
Rot. Bonds10

About N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 162514443) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID162514443
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide
SMILESCNc1ccc(-c2cc(C(=O)NCCCCCC(=O)Nc3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C23H28N6O2/c1-25-17-12-10-16(11-13-17)20-15-21(29-28-20)23(31)26-14-6-2-3-9-22(30)27-19-8-5-4-7-18(19)24/h4-5,7-8,10-13,15,25H,2-3,6,9,14,24H2,1H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyDMGVZPFHKHCARN-UHFFFAOYSA-N
XLogP3.63
TPSA124.93 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-aminoanilino)-6-oxohexyl]-1H-pyrrole-2-carboxamide
CID 45137576
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
N-(2-aminophenyl)octadecanamide
CID 68839220
N-[6-(2-aminoanilino)-6-oxohexyl]-4-ethynylbenzamide
CID 137464662
N-(2-aminophenyl)-6-[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]hexanamide
CID 135869613
N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide
CID 67218587
N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 115628445
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-[6-(2-aminoanilino)-6-oxohexyl]-5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 68846681
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide (CID 162514443) is N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide is CNc1ccc(-c2cc(C(=O)NCCCCCC(=O)Nc3ccccc3N)[nH]n2)cc1.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DMGVZPFHKHCARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-25-17-12-10-16(11-13-17)20-15-21(29-28-20)23(31)26-14-6-2-3-9-22(30)27-19-8-5-4-7-18(19)24/h4-5,7-8,10-13,15,25H,2-3,6,9,14,24H2,1H3,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.63, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162514443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).