1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone

C16H19ClN2O — CID 114639909

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2c(Cl)cnn2C(C)C)cc1C
InChIInChI=1S/C16H19ClN2O/c1-10(2)19-16(14(17)9-18-19)15(20)8-13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyRDUFUDCFBDCAPM-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 114639909) 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)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID114639909
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2c(Cl)cnn2C(C)C)cc1C
InChIInChI=1S/C16H19ClN2O/c1-10(2)19-16(14(17)9-18-19)15(20)8-13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyRDUFUDCFBDCAPM-UHFFFAOYSA-N
XLogP4.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Chloro-phenyl)-(2-methyl-2H-pyrazol-3-yl)-methanone
CID 603786
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6156913
(4-chloro-2-methylphenyl){1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 45231914
4-Chloro-1-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 20895563
4-Chloro-1-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747260
4-Chloro-1-ethyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747287
4-Chloro-1-methyl-3-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747321
4-Chloro-1-methyl-3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747339
4-Chloro-1-methyl-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747358
4-Chloro-1-ethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747390
4-Chloro-1-ethyl-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747396
4-Chloro-1-methyl-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazole
CID 50747414

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone (CID 114639909) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2c(Cl)cnn2C(C)C)cc1C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is RDUFUDCFBDCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10(2)19-16(14(17)9-18-19)15(20)8-13-6-5-11(3)12(4)7-13/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 290.79 g/mol, XLogP of 4.16, 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-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 114639909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).