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

C17H17N3O2 — CID 15324420

IUPAC3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(N)=O)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16-11-15(19-20(16)17(18)21)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,18,21)
InChIKeyWCVHAZPMDTXWOY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.92
Rot. Bonds3

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

3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 15324420) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID15324420
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(N)=O)cc1
InChIInChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16-11-15(19-20(16)17(18)21)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,18,21)
InChIKeyWCVHAZPMDTXWOY-UHFFFAOYSA-N
XLogP2.92
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589746
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
1-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3773109
(4-methoxyphenyl)[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]acetonitrile
CID 4235926
1-[(3R,3aR)-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 6932216
(3R,3aR)-8-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbaldehyde
CID 16204325
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
3-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 46842884
1-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 4298702
3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-ol
CID 135418922

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 15324420) is 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide is COc1ccc(C2CC(c3ccccc3)=NN2C(N)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is WCVHAZPMDTXWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-14-9-7-13(8-10-14)16-11-15(19-20(16)17(18)21)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,18,21).
What are the key properties of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 15324420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).