N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C31H30N4O2 — CID 4266680

IUPACN-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3cccn3C)cc2C(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N4O2/c1-34-21-9-14-29(34)28-22-30(35(33-28)25-15-17-26(37-2)18-16-25)31(36)32-20-19-27(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-18,21-22,27H,19-20H2,1-2H3,(H,32,36)
InChIKeyNTABGMJFCVFRDM-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.84
Rot. Bonds9

About N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 4266680) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
PubChem CID4266680
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC NameN-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3cccn3C)cc2C(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N4O2/c1-34-21-9-14-29(34)28-22-30(35(33-28)25-15-17-26(37-2)18-16-25)31(36)32-20-19-27(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-18,21-22,27H,19-20H2,1-2H3,(H,32,36)
InChIKeyNTABGMJFCVFRDM-UHFFFAOYSA-N
XLogP5.84
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-diphenylpropyl)-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 42759024
N-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4010497
1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42758788
1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 4255211
1-(4-fluorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 812253
1-(4-chlorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42758773
N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(1-methylpyrrol-2-yl)-1-phenylpyrazole-5-carboxamide
CID 7328047
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
N-benzhydryl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3429186

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 4266680) is N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is COc1ccc(-n2nc(-c3cccn3C)cc2C(=O)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The InChIKey is NTABGMJFCVFRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-34-21-9-14-29(34)28-22-30(35(33-28)25-15-17-26(37-2)18-16-25)31(36)32-20-19-27(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-18,21-22,27H,19-20H2,1-2H3,(H,32,36).
What are the key properties of N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4266680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).