(4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol

C11H16F2N2O — CID 103138440

IUPAC(4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H16F2N2O/c1-15-7-4-9(14-15)10(16)8-2-5-11(12,13)6-3-8/h4,7-8,10,16H,2-3,5-6H2,1H3
InChIKeyOTAYKWWUBKVSDT-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.28
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol

(4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138440) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103138440
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H16F2N2O/c1-15-7-4-9(14-15)10(16)8-2-5-11(12,13)6-3-8/h4,7-8,10,16H,2-3,5-6H2,1H3
InChIKeyOTAYKWWUBKVSDT-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methyl-1H-pyrazol-5-yl)oxan-4-ol
CID 63960719
(1R)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370413
(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370414
adamantan-1-yl(1-methyl-1H-pyrazol-5-yl)methanol
CID 63962636
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
(1-Methyl-1H-pyrazol-5-yl)(phenyl)methanol
CID 10943232
[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanol
CID 122155892
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol (CID 103138440) is (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)C2CCC(F)(F)CC2)n1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is OTAYKWWUBKVSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-15-7-4-9(14-15)10(16)8-2-5-11(12,13)6-3-8/h4,7-8,10,16H,2-3,5-6H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol?
(4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 230.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).