4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one

C10H15ClN2O — CID 64696503

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
SMILESCC(=O)CC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H15ClN2O/c1-6(5-7(2)14)13-9(4)10(11)8(3)12-13/h6H,5H2,1-4H3
InChIKeyBNEKTIUKVJSKOU-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.69
Rot. Bonds3

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one

4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one (PubChem CID 64696503) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
PubChem CID64696503
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
SMILESCC(=O)CC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H15ClN2O/c1-6(5-7(2)14)13-9(4)10(11)8(3)12-13/h6H,5H2,1-4H3
InChIKeyBNEKTIUKVJSKOU-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-one
CID 64697316
(3R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-one
CID 40793297
1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
CID 70566742
ethyl 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpentanoate
CID 64707722
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
CID 70595068
(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 51597392
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate
CID 81297481
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoate
CID 17024876
(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(R)-pyridin-4-yl(thiophen-2-yl)methyl]butanamide
CID 51597889
(3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 51597899
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64708762
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62447512

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one (CID 64696503) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one is CC(=O)CC(C)n1nc(C)c(Cl)c1C.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
The InChIKey is BNEKTIUKVJSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(5-7(2)14)13-9(4)10(11)8(3)12-13/h6H,5H2,1-4H3.
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one has a molecular weight of 214.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one is sourced from PubChem (CID 64696503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).