N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide

C13H14ClN3O — CID 19262159

IUPACN-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-17-7-6-11(16-17)13(18)15-12-8-10(14)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyPPHWQQWICJKONW-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.12
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 19262159) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID19262159
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-17-7-6-11(16-17)13(18)15-12-8-10(14)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyPPHWQQWICJKONW-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 841339
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
N-(5-chloro-2-methylphenyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269515
N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 4774967
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 44824027
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19277803
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide (CID 19262159) is N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is PPHWQQWICJKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-17-7-6-11(16-17)13(18)15-12-8-10(14)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19262159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).