3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide

C14H17N3O — CID 14072145

IUPAC3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide
SMILESCCc1nn(C(=O)Nc2ccccc2)c(C)c1C
InChIInChI=1S/C14H17N3O/c1-4-13-10(2)11(3)17(16-13)14(18)15-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyFNYHRZFOCBVKEP-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.14
Rot. Bonds2

About 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide

3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide (PubChem CID 14072145) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide
PubChem CID14072145
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide
SMILESCCc1nn(C(=O)Nc2ccccc2)c(C)c1C
InChIInChI=1S/C14H17N3O/c1-4-13-10(2)11(3)17(16-13)14(18)15-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyFNYHRZFOCBVKEP-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide (CID 14072145) is 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide is CCc1nn(C(=O)Nc2ccccc2)c(C)c1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide?
The InChIKey is FNYHRZFOCBVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-13-10(2)11(3)17(16-13)14(18)15-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide?
3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 14072145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).