1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole

C11H16F2N2 — CID 122632519

IUPAC1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole
SMILESCc1c(C(F)F)nn(C2CCCC2)c1C
InChIInChI=1S/C11H16F2N2/c1-7-8(2)15(9-5-3-4-6-9)14-10(7)11(12)13/h9,11H,3-6H2,1-2H3
InChIKeyUUWUIMCWKWQVSD-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.55
Rot. Bonds2

About 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole

1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole (PubChem CID 122632519) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole
PubChem CID122632519
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole
SMILESCc1c(C(F)F)nn(C2CCCC2)c1C
InChIInChI=1S/C11H16F2N2/c1-7-8(2)15(9-5-3-4-6-9)14-10(7)11(12)13/h9,11H,3-6H2,1-2H3
InChIKeyUUWUIMCWKWQVSD-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-Trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 99802468
N-methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine
CID 579620
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
pentyl[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 28612057
[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride hydrate
CID 50944252

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole?
The IUPAC name of 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole (CID 122632519) is 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole.
What is the SMILES notation for 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole?
The canonical SMILES for 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole is Cc1c(C(F)F)nn(C2CCCC2)c1C.
What is the InChIKey of 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole?
The InChIKey is UUWUIMCWKWQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7-8(2)15(9-5-3-4-6-9)14-10(7)11(12)13/h9,11H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole?
1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole has a molecular weight of 214.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(difluoromethyl)-4,5-dimethylpyrazole is sourced from PubChem (CID 122632519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).