(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone

C13H11ClF2N2O — CID 114639545

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H11ClF2N2O/c1-2-3-18-12(11(14)7-17-18)13(19)8-4-9(15)6-10(16)5-8/h4-7H,2-3H2,1H3
InChIKeyZCRQIEROFAEHPZ-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.46
Rot. Bonds4

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

(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone (PubChem CID 114639545) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
PubChem CID114639545
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H11ClF2N2O/c1-2-3-18-12(11(14)7-17-18)13(19)8-4-9(15)6-10(16)5-8/h4-7H,2-3H2,1H3
InChIKeyZCRQIEROFAEHPZ-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114667997
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(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)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
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)-(3,5-difluorophenyl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone (CID 114639545) is (4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone is CCCn1ncc(Cl)c1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone?
The InChIKey is ZCRQIEROFAEHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-2-3-18-12(11(14)7-17-18)13(19)8-4-9(15)6-10(16)5-8/h4-7H,2-3H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone has a molecular weight of 284.69 g/mol, XLogP of 3.46, 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)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 114639545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).