3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide

C24H27N3O3 — CID 43062299

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C24H27N3O3/c1-16-9-11-19(12-10-16)27-15-21(24(28)25-17(2)22-8-5-13-30-22)23(26-27)18-6-4-7-20(14-18)29-3/h4,6-7,9-12,14-15,17,22H,5,8,13H2,1-3H3,(H,25,28)
InChIKeyZKCDDFGYNSHCHU-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.15
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 43062299) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID43062299
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C24H27N3O3/c1-16-9-11-19(12-10-16)27-15-21(24(28)25-17(2)22-8-5-13-30-22)23(26-27)18-6-4-7-20(14-18)29-3/h4,6-7,9-12,14-15,17,22H,5,8,13H2,1-3H3,(H,25,28)
InChIKeyZKCDDFGYNSHCHU-UHFFFAOYSA-N
XLogP4.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119616115
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154275
N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119998111
3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 47083532
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 43016731
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46510476
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 27660802
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
CID 35265921
1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 119417182

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide (CID 43062299) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC(C)C2CCCO2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is ZKCDDFGYNSHCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-9-11-19(12-10-16)27-15-21(24(28)25-17(2)22-8-5-13-30-22)23(26-27)18-6-4-7-20(14-18)29-3/h4,6-7,9-12,14-15,17,22H,5,8,13H2,1-3H3,(H,25,28).
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide?
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43062299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).