(1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol

C13H20F2N2O — CID 170651606

IUPAC(1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol
SMILESCC(C)(C)n1ccc(C(O)C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H20F2N2O/c1-12(2,3)17-7-5-10(16-17)11(18)9-4-6-13(14,15)8-9/h5,7,9,11,18H,4,6,8H2,1-3H3
InChIKeyMDHGCIYHVWTUQD-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.11
Rot. Bonds2

About (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol

(1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol (PubChem CID 170651606) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol.

Molecular Properties

Compound Name(1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol
PubChem CID170651606
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name(1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol
SMILESCC(C)(C)n1ccc(C(O)C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H20F2N2O/c1-12(2,3)17-7-5-10(16-17)11(18)9-4-6-13(14,15)8-9/h5,7,9,11,18H,4,6,8H2,1-3H3
InChIKeyMDHGCIYHVWTUQD-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63962847
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1-methyl-1H-pyrazol-5-yl)(piperidin-4-yl)methanol
CID 80560254
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
2,2,2-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)ethan-1-ol
CID 58297055
4,4-Difluoro-2-(2-methylpyrazol-3-yl)cyclopentan-1-ol
CID 89962693
(1S*,2R*)-4,4-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclopentanol
CID 89962695
(1S,2R)-5,5-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89962726
4,4-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963010

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol?
The IUPAC name of (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol (CID 170651606) is (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol.
What is the SMILES notation for (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol?
The canonical SMILES for (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol is CC(C)(C)n1ccc(C(O)C2CCC(F)(F)C2)n1.
What is the InChIKey of (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol?
The InChIKey is MDHGCIYHVWTUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-12(2,3)17-7-5-10(16-17)11(18)9-4-6-13(14,15)8-9/h5,7,9,11,18H,4,6,8H2,1-3H3.
What are the key properties of (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol?
(1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol has a molecular weight of 258.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-3-yl)-(3,3-difluorocyclopentyl)methanol is sourced from PubChem (CID 170651606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).