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

C11H11ClN4O — CID 891614

IUPACN-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H11ClN4O/c1-2-16-6-5-9(15-16)11(17)14-10-4-3-8(12)7-13-10/h3-7H,2H2,1H3,(H,13,14,17)
InChIKeyRVENZTWIDBDKMP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.20
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 891614) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
PubChem CID891614
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H11ClN4O/c1-2-16-6-5-9(15-16)11(17)14-10-4-3-8(12)7-13-10/h3-7H,2H2,1H3,(H,13,14,17)
InChIKeyRVENZTWIDBDKMP-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
6-Chloro-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 54760195
N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-3-carboxamide
CID 841670
1-(4-chlorophenyl)-N-cyclohexyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768459
N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259262
4-chloro-N-(5-chloro-2-pyridinyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 725806
N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
CID 1084322
N-(5-Fluoropyridin-2-yl)-pyrazole-3-carboxamide
CID 16666555
N-(5-Chloropyridin-2-yl)pyrazole-3-carboxamide
CID 16667292
N-(6-amino-5-(2,5-dichlorophenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25155168
4-bromo-N-(5-chloropyridin-2-yl)-2-ethylpyrazole-3-carboxamide
CID 892191
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloropyridin-2-yl)acetamide
CID 823264

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide (CID 891614) is N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is RVENZTWIDBDKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-2-16-6-5-9(15-16)11(17)14-10-4-3-8(12)7-13-10/h3-7H,2H2,1H3,(H,13,14,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 891614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).