N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide

C12H13ClN4O — CID 158301381

IUPACN-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cn(-c2cnccc2Cl)nc1C
InChIInChI=1S/C12H13ClN4O/c1-8-12(16(3)9(2)18)7-17(15-8)11-6-14-5-4-10(11)13/h4-7H,1-3H3
InChIKeyGMNPLVVQMYFCJM-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.21
Rot. Bonds2

About N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide

N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide (PubChem CID 158301381) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide
PubChem CID158301381
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cn(-c2cnccc2Cl)nc1C
InChIInChI=1S/C12H13ClN4O/c1-8-12(16(3)9(2)18)7-17(15-8)11-6-14-5-4-10(11)13/h4-7H,1-3H3
InChIKeyGMNPLVVQMYFCJM-UHFFFAOYSA-N
XLogP2.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyanopyrimidin-5-yl)-3-methylpyrazol-4-yl]-N-methylacetamide
CID 160662567
N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide
CID 161113721
N-[1-(5-isocyano-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide
CID 160679453
4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81230310
N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
CID 167350489
N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide
CID 152809644
1-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]propan-2-one
CID 116817835
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
N-methyl-N-(5-methyl-1,2-oxazol-4-yl)acetamide
CID 13483373
1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
CID 69260543
5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide
CID 122495870
2-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]acetaldehyde
CID 83896288

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide (CID 158301381) is N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cn(-c2cnccc2Cl)nc1C.
What is the InChIKey of N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide?
The InChIKey is GMNPLVVQMYFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-12(16(3)9(2)18)7-17(15-8)11-6-14-5-4-10(11)13/h4-7H,1-3H3.
What are the key properties of N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide?
N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide has a molecular weight of 264.72 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 158301381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).