5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

C17H17N3O2 — CID 101435165

IUPAC5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESCOc1ccc(C2=NN(c3ccccc3)C(C(N)=O)C2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-12(8-10-14)15-11-16(17(18)21)20(19-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
InChIKeyBCELVFMRTPESTC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.16
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (PubChem CID 101435165) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
PubChem CID101435165
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESCOc1ccc(C2=NN(c3ccccc3)C(C(N)=O)C2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-12(8-10-14)15-11-16(17(18)21)20(19-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
InChIKeyBCELVFMRTPESTC-UHFFFAOYSA-N
XLogP2.16
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
5-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 56524247
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 40541008
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 55565942
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
methyl 2-benzoyl-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylate
CID 134100204

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (CID 101435165) is 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is COc1ccc(C2=NN(c3ccccc3)C(C(N)=O)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is BCELVFMRTPESTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-14-9-7-12(8-10-14)15-11-16(17(18)21)20(19-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21).
What are the key properties of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 101435165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).