3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide

C22H25N3O2 — CID 42988857

IUPAC3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C22H25N3O2/c1-4-9-16(2)23-22(26)20-15-25(18-11-6-5-7-12-18)24-21(20)17-10-8-13-19(14-17)27-3/h5-8,10-16H,4,9H2,1-3H3,(H,23,26)
InChIKeyGUIZPKZLSAWERQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.47
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide

3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide (PubChem CID 42988857) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
PubChem CID42988857
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C22H25N3O2/c1-4-9-16(2)23-22(26)20-15-25(18-11-6-5-7-12-18)24-21(20)17-10-8-13-19(14-17)27-3/h5-8,10-16H,4,9H2,1-3H3,(H,23,26)
InChIKeyGUIZPKZLSAWERQ-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
3-(3-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 31845892
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 56543719
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 9301358
N-[3-(3-cyanopropoxy)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55879339
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide (CID 42988857) is 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide is CCCC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide?
The InChIKey is GUIZPKZLSAWERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-9-16(2)23-22(26)20-15-25(18-11-6-5-7-12-18)24-21(20)17-10-8-13-19(14-17)27-3/h5-8,10-16H,4,9H2,1-3H3,(H,23,26).
What are the key properties of 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide?
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42988857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).