(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone

C14H15ClN2O — CID 114639191

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cccc(C)c1
InChIInChI=1S/C14H15ClN2O/c1-3-7-17-13(12(15)9-16-17)14(18)11-6-4-5-10(2)8-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyZEZPKWJRFJLJSA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.49
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone (PubChem CID 114639191) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
PubChem CID114639191
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cccc(C)c1
InChIInChI=1S/C14H15ClN2O/c1-3-7-17-13(12(15)9-16-17)14(18)11-6-4-5-10(2)8-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyZEZPKWJRFJLJSA-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114667997
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone (CID 114639191) is (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone is CCCn1ncc(Cl)c1C(=O)c1cccc(C)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone?
The InChIKey is ZEZPKWJRFJLJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-3-7-17-13(12(15)9-16-17)14(18)11-6-4-5-10(2)8-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone has a molecular weight of 262.74 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 114639191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).