N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide

C14H17N3O — CID 1084335

IUPACN-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H17N3O/c1-4-17-13(7-8-15-17)14(18)16-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyKNMZAGSTAKJDDL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 1084335) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide
PubChem CID1084335
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H17N3O/c1-4-17-13(7-8-15-17)14(18)16-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyKNMZAGSTAKJDDL-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 N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide (CID 1084335) is N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is KNMZAGSTAKJDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-17-13(7-8-15-17)14(18)16-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-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 N-(3,4-dimethylphenyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 1084335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).