1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide

C14H17N3O2 — CID 19474230

IUPAC1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(OC)c2)c(C)n1
InChIInChI=1S/C14H17N3O2/c1-4-17-9-13(10(2)16-17)14(18)15-11-6-5-7-12(8-11)19-3/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyXGCPKRJEUGHSIW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.47
Rot. Bonds4

About 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide

1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 19474230) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID19474230
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(OC)c2)c(C)n1
InChIInChI=1S/C14H17N3O2/c1-4-17-9-13(10(2)16-17)14(18)15-11-6-5-7-12(8-11)19-3/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyXGCPKRJEUGHSIW-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 53143017
1-ethyl-N-(3-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39886143
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474225
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
3-ethyl-N-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5142859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide (CID 19474230) is 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cccc(OC)c2)c(C)n1.
What is the InChIKey of 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is XGCPKRJEUGHSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-17-9-13(10(2)16-17)14(18)15-11-6-5-7-12(8-11)19-3/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).