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

C16H19ClN2O — CID 114979203

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)Cc2c(Cl)c(C)nn2C)c1
InChIInChI=1S/C16H19ClN2O/c1-10-5-6-11(2)13(7-10)8-14(20)9-15-16(17)12(3)18-19(15)4/h5-7H,8-9H2,1-4H3
InChIKeyVUNHTDAVABPRRL-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.35
Rot. Bonds4

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

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one (PubChem CID 114979203) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
PubChem CID114979203
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)Cc2c(Cl)c(C)nn2C)c1
InChIInChI=1S/C16H19ClN2O/c1-10-5-6-11(2)13(7-10)8-14(20)9-15-16(17)12(3)18-19(15)4/h5-7H,8-9H2,1-4H3
InChIKeyVUNHTDAVABPRRL-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114980628
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790359
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
CID 116581212
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one
CID 105108649
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114979303
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 66146822
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
CID 115345653
1-(4-chloro-1,3-dimethylpyrazol-5-yl)heptan-2-one
CID 114979229
1-(4-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-one
CID 66057256
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273633
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one (CID 114979203) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one is Cc1ccc(C)c(CC(=O)Cc2c(Cl)c(C)nn2C)c1.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one?
The InChIKey is VUNHTDAVABPRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-5-6-11(2)13(7-10)8-14(20)9-15-16(17)12(3)18-19(15)4/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one has a molecular weight of 290.79 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 114979203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).