2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

C14H17N3O — CID 110467120

IUPAC2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)11-4-6-12(7-5-11)16-14(18)13-8-9-15-17(13)3/h4-10H,1-3H3,(H,16,18)
InChIKeyGJZWZUBJUYDDSB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds3

About 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 110467120) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID110467120
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)11-4-6-12(7-5-11)16-14(18)13-8-9-15-17(13)3/h4-10H,1-3H3,(H,16,18)
InChIKeyGJZWZUBJUYDDSB-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62918919
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CID 110858177
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 110467120) is 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is CC(C)c1ccc(NC(=O)c2ccnn2C)cc1.
What is the InChIKey of 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is GJZWZUBJUYDDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)11-4-6-12(7-5-11)16-14(18)13-8-9-15-17(13)3/h4-10H,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110467120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).