1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide

C35H29N3O — CID 57333118

IUPAC1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnn(-c2cccc3ccccc23)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H29N3O/c39-35(36-24-10-13-26-11-3-1-4-12-26)32-25-37-38(33-19-9-17-29-16-7-8-18-31(29)33)34(32)30-22-20-28(21-23-30)27-14-5-2-6-15-27/h1-9,11-12,14-23,25H,10,13,24H2,(H,36,39)
InChIKeyYGNQQFVUJALCEB-UHFFFAOYSA-N
MW507.64 g/mol
LogP7.72
Rot. Bonds8

About 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide

1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide (PubChem CID 57333118) has the molecular formula C35H29N3O and a molecular weight of 507.64 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
PubChem CID57333118
Molecular FormulaC35H29N3O
Molecular Weight507.64 g/mol
Exact Mass507.23
IUPAC Name1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnn(-c2cccc3ccccc23)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H29N3O/c39-35(36-24-10-13-26-11-3-1-4-12-26)32-25-37-38(33-19-9-17-29-16-7-8-18-31(29)33)34(32)30-22-20-28(21-23-30)27-14-5-2-6-15-27/h1-9,11-12,14-23,25H,10,13,24H2,(H,36,39)
InChIKeyYGNQQFVUJALCEB-UHFFFAOYSA-N
XLogP7.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
hCB1 Inhibitor, 2{1,1,1}
CID 11306424
hCB1 Inhibitor, 2{1,1,8}
CID 11465875
hCB1 Inhibitor, 2{6,1,1}
CID 11475910
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(1-naphthyl)benzamide
CID 1224602
N-[(5-aminonaphthalen-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168282458
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16193474
N-(5-Cyclopropyl-1-naphthalen-1-yl-1H-pyrazole-4-carbonyl)-guanidine
CID 10336075
1,3-diphenyl-N-(prop-2-yn-1-yl)-1H-pyrazole-4-carboxamide
CID 25504701

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide (CID 57333118) is 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide is O=C(NCCCc1ccccc1)c1cnn(-c2cccc3ccccc23)c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The InChIKey is YGNQQFVUJALCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3O/c39-35(36-24-10-13-26-11-3-1-4-12-26)32-25-37-38(33-19-9-17-29-16-7-8-18-31(29)33)34(32)30-22-20-28(21-23-30)27-14-5-2-6-15-27/h1-9,11-12,14-23,25H,10,13,24H2,(H,36,39).
What are the key properties of 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 7.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57333118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).