1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide

C14H17N3O — CID 841477

IUPAC1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C14H17N3O/c1-4-17-11(3)12(9-15-17)14(18)16-13-8-6-5-7-10(13)2/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyALMDYQAKRSKCCA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds3

About 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide

1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 841477) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID841477
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C14H17N3O/c1-4-17-11(3)12(9-15-17)14(18)16-13-8-6-5-7-10(13)2/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyALMDYQAKRSKCCA-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide (CID 841477) is 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccccc2C)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is ALMDYQAKRSKCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-17-11(3)12(9-15-17)14(18)16-13-8-6-5-7-10(13)2/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 841477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).