2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide

C11H11ClN4O — CID 35277482

IUPAC2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCCn1cc(NC(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C11H11ClN4O/c1-2-16-7-9(6-14-16)15-11(17)8-3-4-13-10(12)5-8/h3-7H,2H2,1H3,(H,15,17)
InChIKeyVGXANXVPLKVVGT-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.20
Rot. Bonds3

About 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide

2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 35277482) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID35277482
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCCn1cc(NC(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C11H11ClN4O/c1-2-16-7-9(6-14-16)15-11(17)8-3-4-13-10(12)5-8/h3-7H,2H2,1H3,(H,15,17)
InChIKeyVGXANXVPLKVVGT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
CID 47287788
3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
CID 43429927
3-chloro-N-(1-ethylpyrazol-4-yl)-4-nitrobenzamide
CID 82781184
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 172671309
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide (CID 35277482) is 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide is CCn1cc(NC(=O)c2ccnc(Cl)c2)cn1.
What is the InChIKey of 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is VGXANXVPLKVVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-2-16-7-9(6-14-16)15-11(17)8-3-4-13-10(12)5-8/h3-7H,2H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide?
2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-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 2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 35277482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).