5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide

C13H14ClN3O2 — CID 35286166

IUPAC5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
SMILESCCn1ccc(NC(=O)c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-17-7-6-12(16-17)15-13(18)10-8-9(14)4-5-11(10)19-2/h4-8H,3H2,1-2H3,(H,15,16,18)
InChIKeyCQVWCQHHXCBREA-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.82
Rot. Bonds4

About 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide

5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide (PubChem CID 35286166) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
PubChem CID35286166
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
SMILESCCn1ccc(NC(=O)c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-17-7-6-12(16-17)15-13(18)10-8-9(14)4-5-11(10)19-2/h4-8H,3H2,1-2H3,(H,15,16,18)
InChIKeyCQVWCQHHXCBREA-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

5-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19404949
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
CID 35286238
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 1-ethylpyrazole-3-carboxylate
CID 19295902
5-chloro-N-(4,6-dimethyl-2-pyridinyl)-2-methoxybenzamide
CID 868750
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403231
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
CID 174302752
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide (CID 35286166) is 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide is CCn1ccc(NC(=O)c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide?
The InChIKey is CQVWCQHHXCBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-17-7-6-12(16-17)15-13(18)10-8-9(14)4-5-11(10)19-2/h4-8H,3H2,1-2H3,(H,15,16,18).
What are the key properties of 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide?
5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide 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 5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 35286166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).