1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide

C10H10ClN5O — CID 113317014

IUPAC1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(Cl)ccc2N)n1
InChIInChI=1S/C10H10ClN5O/c1-13-10(17)7-4-5-16(15-7)9-6(12)2-3-8(11)14-9/h2-5H,12H2,1H3,(H,13,17)
InChIKeyVQRJPDWQHMWVTN-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.86
Rot. Bonds2

About 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide

1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide (PubChem CID 113317014) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
PubChem CID113317014
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(Cl)ccc2N)n1
InChIInChI=1S/C10H10ClN5O/c1-13-10(17)7-4-5-16(15-7)9-6(12)2-3-8(11)14-9/h2-5H,12H2,1H3,(H,13,17)
InChIKeyVQRJPDWQHMWVTN-UHFFFAOYSA-N
XLogP0.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide (CID 113317014) is 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2nc(Cl)ccc2N)n1.
What is the InChIKey of 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is VQRJPDWQHMWVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-13-10(17)7-4-5-16(15-7)9-6(12)2-3-8(11)14-9/h2-5H,12H2,1H3,(H,13,17).
What are the key properties of 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 113317014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).