N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide

C12H13ClN4O — CID 113250420

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)n2cccn2)cnc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-6-10(7-14-11(8)13)16-12(18)9(2)17-5-3-4-15-17/h3-7,9H,1-2H3,(H,16,18)
InChIKeyUXZHGKIZARAQHK-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.44
Rot. Bonds3

About N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide (PubChem CID 113250420) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
PubChem CID113250420
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)n2cccn2)cnc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-6-10(7-14-11(8)13)16-12(18)9(2)17-5-3-4-15-17/h3-7,9H,1-2H3,(H,16,18)
InChIKeyUXZHGKIZARAQHK-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.44
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-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980
N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 102979193
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113252041
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
CID 103730347
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35556893
N-(1-methylpyrazol-4-yl)-2-pyrazol-1-ylpropanamide
CID 47187700
N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 103811557
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide (CID 113250420) is N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide is Cc1cc(NC(=O)C(C)n2cccn2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is UXZHGKIZARAQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-6-10(7-14-11(8)13)16-12(18)9(2)17-5-3-4-15-17/h3-7,9H,1-2H3,(H,16,18).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 264.72 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 113250420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).