2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone

C14H15ClN2O — CID 63975698

IUPAC2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-2-8-17-13(6-7-16-17)14(18)10-11-4-3-5-12(15)9-11/h3-7,9H,2,8,10H2,1H3
InChIKeyFGKXEOFYHNDMSJ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.37
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone

2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone (PubChem CID 63975698) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
PubChem CID63975698
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-2-8-17-13(6-7-16-17)14(18)10-11-4-3-5-12(15)9-11/h3-7,9H,2,8,10H2,1H3
InChIKeyFGKXEOFYHNDMSJ-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63976549
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63974862
1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114972242
2-propylpyrazole-3-carboxylic acid
CID 7017775
(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride
CID 136827782
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
2-(3-chlorophenyl)-1-(furan-3-yl)ethanone
CID 62505293
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
CID 116548209

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone (CID 63975698) is 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone is CCCn1nccc1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The InChIKey is FGKXEOFYHNDMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-8-17-13(6-7-16-17)14(18)10-11-4-3-5-12(15)9-11/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone has a molecular weight of 262.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone is sourced from PubChem (CID 63975698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).