3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide

C14H17N3O — CID 166225953

IUPAC3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1
InChIInChI=1S/C14H17N3O/c1-4-15-14(18)13-8-12(16-17-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKDIMTAOUCXSRIF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.44
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide

3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide (PubChem CID 166225953) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
PubChem CID166225953
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1
InChIInChI=1S/C14H17N3O/c1-4-15-14(18)13-8-12(16-17-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKDIMTAOUCXSRIF-UHFFFAOYSA-N
XLogP2.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide (CID 166225953) is 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide is CCNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
The InChIKey is KDIMTAOUCXSRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-15-14(18)13-8-12(16-17-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166225953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).