(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone

C14H14ClFN2O — CID 115805833

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cccc(C)c1F
InChIInChI=1S/C14H14ClFN2O/c1-3-7-18-13(11(15)8-17-18)14(19)10-6-4-5-9(2)12(10)16/h4-6,8H,3,7H2,1-2H3
InChIKeyFYWVNAXREBQNRX-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.63
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 115805833) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID115805833
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cccc(C)c1F
InChIInChI=1S/C14H14ClFN2O/c1-3-7-18-13(11(15)8-17-18)14(19)10-6-4-5-9(2)12(10)16/h4-6,8H,3,7H2,1-2H3
InChIKeyFYWVNAXREBQNRX-UHFFFAOYSA-N
XLogP3.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115815257
(3-bromo-2-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107957438
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-chloro-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125383
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone
CID 105130976
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone (CID 115805833) is (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone is CCCn1ncc(Cl)c1C(=O)c1cccc(C)c1F.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is FYWVNAXREBQNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-3-7-18-13(11(15)8-17-18)14(19)10-6-4-5-9(2)12(10)16/h4-6,8H,3,7H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 280.73 g/mol, XLogP of 3.63, 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)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 115805833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).