4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide

C20H21N3O3 — CID 39498587

IUPAC4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C20H21N3O3/c1-14(2)26-17-12-8-7-11-16(17)21-20(24)19-18(25-3)13-23(22-19)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,21,24)
InChIKeyHZURGADXWZZDND-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.92
Rot. Bonds6

About 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide (PubChem CID 39498587) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
PubChem CID39498587
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C20H21N3O3/c1-14(2)26-17-12-8-7-11-16(17)21-20(24)19-18(25-3)13-23(22-19)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,21,24)
InChIKeyHZURGADXWZZDND-UHFFFAOYSA-N
XLogP3.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
CID 39964657
4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 46475860
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
4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide (CID 39498587) is 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
The InChIKey is HZURGADXWZZDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(2)26-17-12-8-7-11-16(17)21-20(24)19-18(25-3)13-23(22-19)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,21,24).
What are the key properties of 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 39498587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).