N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide

C12H12Cl2N4O — CID 113252041

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)C(C)n1cccn1
InChIInChI=1S/C12H12Cl2N4O/c1-7-6-9(13)16-11(14)10(7)17-12(19)8(2)18-5-3-4-15-18/h3-6,8H,1-2H3,(H,17,19)
InChIKeySEHNKXPWLJTBAQ-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.09
Rot. Bonds3

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide (PubChem CID 113252041) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
PubChem CID113252041
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)C(C)n1cccn1
InChIInChI=1S/C12H12Cl2N4O/c1-7-6-9(13)16-11(14)10(7)17-12(19)8(2)18-5-3-4-15-18/h3-6,8H,1-2H3,(H,17,19)
InChIKeySEHNKXPWLJTBAQ-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.09
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-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 4988277
N-(4-chlorophenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431890
N-(4-chlorophenyl)-5-methyl-2-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 44431914
N-(4-chlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439468
4-chloro-1-methyl-N-(3-pyridyl)-1H-pyrazole-5-carboxamide
CID 700794
4-chloro-1-ethyl-N-4-pyridinyl-1H-pyrazole-5-carboxamide
CID 892623
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 3236806
N-(4-chlorophenyl)-N'-(1-ethylpyrazol-4-yl)oxamide
CID 57523322
2-[3-(3-chlorophenyl)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 141484721
N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-2-pyrazinecarboxamide
CID 1247210
N-(3-chlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439469

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide (CID 113252041) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide is Cc1cc(Cl)nc(Cl)c1NC(=O)C(C)n1cccn1.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is SEHNKXPWLJTBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-7-6-9(13)16-11(14)10(7)17-12(19)8(2)18-5-3-4-15-18/h3-6,8H,1-2H3,(H,17,19).
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 299.16 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 113252041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).