N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide

C13H14ClN3O2 — CID 35295311

IUPACN-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C13H14ClN3O2/c1-3-17-8-9(7-15-17)13(18)16-11-6-10(14)4-5-12(11)19-2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyGSGZSVYMNABYGS-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.82
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 35295311) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
PubChem CID35295311
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C13H14ClN3O2/c1-3-17-8-9(7-15-17)13(18)16-11-6-10(14)4-5-12(11)19-2/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyGSGZSVYMNABYGS-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide
CID 19281013
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 35525710
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-ethylpyrazole-4-carboxamide
CID 19281153
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide (CID 35295311) is N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cc(Cl)ccc2OC)cn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is GSGZSVYMNABYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-17-8-9(7-15-17)13(18)16-11-6-10(14)4-5-12(11)19-2/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 35295311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).