N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide

C14H17N3O — CID 3621596

IUPACN-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C14H17N3O/c1-4-17-9-12(8-15-17)14(18)16-13-7-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyAJYSMOBFQWZMMT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide

N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 3621596) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide
PubChem CID3621596
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C14H17N3O/c1-4-17-9-12(8-15-17)14(18)16-13-7-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyAJYSMOBFQWZMMT-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-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide (CID 3621596) is N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cc(C)ccc2C)cn1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is AJYSMOBFQWZMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-17-9-12(8-15-17)14(18)16-13-7-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide?
N-(2,5-dimethylphenyl)-1-ethylpyrazole-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 N-(2,5-dimethylphenyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 3621596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).