N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C19H19N3O2 — CID 7992464

IUPACN-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-13-9-10-15(11-14(13)2)20-19(23)18-17(24-3)12-22(21-18)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,20,23)
InChIKeyCEUUCQOQRNXWOX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.75
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 7992464) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID7992464
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-13-9-10-15(11-14(13)2)20-19(23)18-17(24-3)12-22(21-18)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,20,23)
InChIKeyCEUUCQOQRNXWOX-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 46475860
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 39964656
4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-1-phenylpyrazole-3-carboxamide
CID 167751714
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112803447
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27844853
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 7992464) is N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is CEUUCQOQRNXWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-9-10-15(11-14(13)2)20-19(23)18-17(24-3)12-22(21-18)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 7992464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).