1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one

C10H15ClN2O — CID 114663560

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1c(Cl)cnn1C
InChIInChI=1S/C10H15ClN2O/c1-7(2)10(14)5-4-9-8(11)6-12-13(9)3/h6-7H,4-5H2,1-3H3
InChIKeyLFDIOIXRVWCAFT-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.23
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one

1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one (PubChem CID 114663560) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one
PubChem CID114663560
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1c(Cl)cnn1C
InChIInChI=1S/C10H15ClN2O/c1-7(2)10(14)5-4-9-8(11)6-12-13(9)3/h6-7H,4-5H2,1-3H3
InChIKeyLFDIOIXRVWCAFT-UHFFFAOYSA-N
XLogP2.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol
CID 114664884
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanal
CID 83828956
4-chloro-5-(methoxymethyl)-1-methylpyrazole
CID 19779911
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
1-(4-chloro-1-methylpyrazol-5-yl)-N-methylpentan-3-amine
CID 114664248
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
CID 114663535
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-2-one
CID 114663500
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one (CID 114663560) is 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one is CC(C)C(=O)CCc1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one?
The InChIKey is LFDIOIXRVWCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(2)10(14)5-4-9-8(11)6-12-13(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one?
1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one has a molecular weight of 214.70 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one is sourced from PubChem (CID 114663560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).