3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

C15H19N3O2 — CID 42759669

IUPAC3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)n(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)16-15(19)14-9-13(17-18(14)3)11-5-7-12(20-4)8-6-11/h5-10H,1-4H3,(H,16,19)
InChIKeyQQIMNOZIQIWTQD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 42759669) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID42759669
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)n(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-10(2)16-15(19)14-9-13(17-18(14)3)11-5-7-12(20-4)8-6-11/h5-10H,1-4H3,(H,16,19)
InChIKeyQQIMNOZIQIWTQD-UHFFFAOYSA-N
XLogP2.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 90489464
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759699
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
CID 78904333
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (CID 42759669) is 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)C)n(C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is QQIMNOZIQIWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)16-15(19)14-9-13(17-18(14)3)11-5-7-12(20-4)8-6-11/h5-10H,1-4H3,(H,16,19).
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42759669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).