1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one

C16H19ClN2O — CID 105130702

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C16H19ClN2O/c1-11(2)19-16(14(17)10-18-19)15(20)9-8-13-7-5-4-6-12(13)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyNPBCBROYJBEHSP-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.24
Rot. Bonds5

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one (PubChem CID 105130702) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one
PubChem CID105130702
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C16H19ClN2O/c1-11(2)19-16(14(17)10-18-19)15(20)9-8-13-7-5-4-6-12(13)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyNPBCBROYJBEHSP-UHFFFAOYSA-N
XLogP4.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-one
CID 105135461
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
CID 106677630
4-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-phenylbutan-1-one
CID 114669252
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
2-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114668152
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-one
CID 115804834
(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639808
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
CID 115804970
3-(aminomethyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-one
CID 114670481
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one (CID 105130702) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is NPBCBROYJBEHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)19-16(14(17)10-18-19)15(20)9-8-13-7-5-4-6-12(13)3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 290.79 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 105130702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).