1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole

C15H18F2N2 — CID 58261034

IUPAC1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)nn1-c1cccc(C(C)(F)F)c1
InChIInChI=1S/C15H18F2N2/c1-10(2)14-8-11(3)19(18-14)13-7-5-6-12(9-13)15(4,16)17/h5-10H,1-4H3
InChIKeySPPGXFALCGAHLP-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.42
Rot. Bonds3

About 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole

1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole (PubChem CID 58261034) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole
PubChem CID58261034
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)nn1-c1cccc(C(C)(F)F)c1
InChIInChI=1S/C15H18F2N2/c1-10(2)14-8-11(3)19(18-14)13-7-5-6-12(9-13)15(4,16)17/h5-10H,1-4H3
InChIKeySPPGXFALCGAHLP-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one;hydrochloride
CID 122715031
N-(1-aminopropan-2-yl)-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119584444
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 66020727
5-chloro-3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 63788601
[(1S)-1-phenylethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 9063337
6-methyl-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46564640
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
6-methyl-N-(4-methylpentyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32628634
2-[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198752
[1-(3-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] 2,2-dimethylpropanoate
CID 42727215

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole?
The IUPAC name of 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole (CID 58261034) is 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole is Cc1cc(C(C)C)nn1-c1cccc(C(C)(F)F)c1.
What is the InChIKey of 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole?
The InChIKey is SPPGXFALCGAHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-10(2)14-8-11(3)19(18-14)13-7-5-6-12(9-13)15(4,16)17/h5-10H,1-4H3.
What are the key properties of 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole?
1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole has a molecular weight of 264.32 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoroethyl)phenyl]-5-methyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 58261034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).