(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone

C13H11ClF2N2O — CID 114639985

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11ClF2N2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-4-3-8(15)5-11(9)16/h3-7H,1-2H3
InChIKeyGZNSKNKCCGXJCV-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.63
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone (PubChem CID 114639985) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone
PubChem CID114639985
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11ClF2N2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-4-3-8(15)5-11(9)16/h3-7H,1-2H3
InChIKeyGZNSKNKCCGXJCV-UHFFFAOYSA-N
XLogP3.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639921
(2,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639995
(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640056
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
CID 115804970
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4-difluorophenyl)methanone
CID 114639991
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115805489
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylfuran-3-yl)methanone
CID 114104117
(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639808
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640157

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone (CID 114639985) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone is CC(C)n1ncc(Cl)c1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone?
The InChIKey is GZNSKNKCCGXJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-4-3-8(15)5-11(9)16/h3-7H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone has a molecular weight of 284.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 114639985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).