4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide

C9H8ClN5O — CID 141324742

IUPAC4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(Cl)n2)cc1N
InChIInChI=1S/C9H8ClN5O/c10-6-2-1-3-7(13-6)15-4-5(11)8(14-15)9(12)16/h1-4H,11H2,(H2,12,16)
InChIKeyPITZYVJHGVKXGL-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.60
Rot. Bonds2

About 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide

4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 141324742) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID141324742
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(Cl)n2)cc1N
InChIInChI=1S/C9H8ClN5O/c10-6-2-1-3-7(13-6)15-4-5(11)8(14-15)9(12)16/h1-4H,11H2,(H2,12,16)
InChIKeyPITZYVJHGVKXGL-UHFFFAOYSA-N
XLogP0.60
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide (CID 141324742) is 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide is NC(=O)c1nn(-c2cccc(Cl)n2)cc1N.
What is the InChIKey of 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is PITZYVJHGVKXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-6-2-1-3-7(13-6)15-4-5(11)8(14-15)9(12)16/h1-4H,11H2,(H2,12,16).
What are the key properties of 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide?
4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141324742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).