(4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol

C12H18F2N2O — CID 112742747

IUPAC(4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1cnn(C)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2O/c1-8-7-15-16(2)10(8)11(17)9-3-5-12(13,14)6-4-9/h7,9,11,17H,3-6H2,1-2H3
InChIKeyRFYBZZDZVGRGGD-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.59
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol

(4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol (PubChem CID 112742747) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol
PubChem CID112742747
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name(4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1cnn(C)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2O/c1-8-7-15-16(2)10(8)11(17)9-3-5-12(13,14)6-4-9/h7,9,11,17H,3-6H2,1-2H3
InChIKeyRFYBZZDZVGRGGD-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
adamantan-1-yl(1-methyl-1H-pyrazol-5-yl)methanol
CID 63962636
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1S)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154832493
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-ol
CID 165723508
(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
[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
CID 102385474
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
3-(Difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
CID 71204372
(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 (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol (CID 112742747) is (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol is Cc1cnn(C)c1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The InChIKey is RFYBZZDZVGRGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-8-7-15-16(2)10(8)11(17)9-3-5-12(13,14)6-4-9/h7,9,11,17H,3-6H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol?
(4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol has a molecular weight of 244.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol is sourced from PubChem (CID 112742747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).