N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide

C11H11ClN4O2 — CID 158336052

IUPACN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide
SMILESCOc1cncc(-n2cc(NC(C)=O)c(Cl)n2)c1
InChIInChI=1S/C11H11ClN4O2/c1-7(17)14-10-6-16(15-11(10)12)8-3-9(18-2)5-13-4-8/h3-6H,1-2H3,(H,14,17)
InChIKeyGQPBBKQGSVHBNM-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.89
Rot. Bonds3

About N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide

N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide (PubChem CID 158336052) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide
PubChem CID158336052
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC NameN-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide
SMILESCOc1cncc(-n2cc(NC(C)=O)c(Cl)n2)c1
InChIInChI=1S/C11H11ClN4O2/c1-7(17)14-10-6-16(15-11(10)12)8-3-9(18-2)5-13-4-8/h3-6H,1-2H3,(H,14,17)
InChIKeyGQPBBKQGSVHBNM-UHFFFAOYSA-N
XLogP1.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine
CID 86700650
tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate
CID 90359788
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide
CID 159568798
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
CID 86700603
4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 146096937
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
3-(4-bromoimidazol-1-yl)-5-methoxypyridine
CID 134325443
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126826218
tert-butyl N-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-N-methylcarbamate
CID 86700644
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide (CID 158336052) is N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide is COc1cncc(-n2cc(NC(C)=O)c(Cl)n2)c1.
What is the InChIKey of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide?
The InChIKey is GQPBBKQGSVHBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-7(17)14-10-6-16(15-11(10)12)8-3-9(18-2)5-13-4-8/h3-6H,1-2H3,(H,14,17).
What are the key properties of N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide?
N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide has a molecular weight of 266.69 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 158336052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).