N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C11H10ClN3O2 — CID 112513869

IUPACN-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C11H10ClN3O2/c1-6-2-3-7(12)4-8(6)13-11(17)9-5-10(16)15-14-9/h2-5H,1H3,(H,13,17)(H2,14,15,16)
InChIKeyJEMLDAGSBSETPF-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.92
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513869) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513869
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C11H10ClN3O2/c1-6-2-3-7(12)4-8(6)13-11(17)9-5-10(16)15-14-9/h2-5H,1H3,(H,13,17)(H2,14,15,16)
InChIKeyJEMLDAGSBSETPF-UHFFFAOYSA-N
XLogP1.92
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43386540
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N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
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CID 918666
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4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
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N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859079
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CID 46744939
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CID 43333228

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 112513869) is N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is JEMLDAGSBSETPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-2-3-7(12)4-8(6)13-11(17)9-5-10(16)15-14-9/h2-5H,1H3,(H,13,17)(H2,14,15,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).