N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide

C11H11ClN4O — CID 103943483

IUPACN-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2Cl)n(C)n1
InChIInChI=1S/C11H11ClN4O/c1-7-6-9(16(2)15-7)11(17)14-10-8(12)4-3-5-13-10/h3-6H,1-2H3,(H,13,14,17)
InChIKeyKFHGOXDLQKCJIN-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.03
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide

N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 103943483) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID103943483
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncccc2Cl)n(C)n1
InChIInChI=1S/C11H11ClN4O/c1-7-6-9(16(2)15-7)11(17)14-10-8(12)4-3-5-13-10/h3-6H,1-2H3,(H,13,14,17)
InChIKeyKFHGOXDLQKCJIN-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128180
N-(3-chloro-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103892968
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103094486
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
5-acetamido-2-chloro-N-(3-chloro-2-pyridinyl)benzamide
CID 86783432
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
N-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103892877
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide (CID 103943483) is N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ncccc2Cl)n(C)n1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is KFHGOXDLQKCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-6-9(16(2)15-7)11(17)14-10-8(12)4-3-5-13-10/h3-6H,1-2H3,(H,13,14,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 103943483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).