1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide

C9H7ClN4O — CID 64781605

IUPAC1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccnc(Cl)c2)c1
InChIInChI=1S/C9H7ClN4O/c10-8-3-7(1-2-12-8)14-5-6(4-13-14)9(11)15/h1-5H,(H2,11,15)
InChIKeyGYOHRMBTPFFEJN-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.02
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide

1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide (PubChem CID 64781605) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
PubChem CID64781605
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccnc(Cl)c2)c1
InChIInChI=1S/C9H7ClN4O/c10-8-3-7(1-2-12-8)14-5-6(4-13-14)9(11)15/h1-5H,(H2,11,15)
InChIKeyGYOHRMBTPFFEJN-UHFFFAOYSA-N
XLogP1.02
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide (CID 64781605) is 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccnc(Cl)c2)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is GYOHRMBTPFFEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-8-3-7(1-2-12-8)14-5-6(4-13-14)9(11)15/h1-5H,(H2,11,15).
What are the key properties of 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide?
1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 222.64 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 64781605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).