[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol

C11H17F2N3O — CID 146598754

IUPAC[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
SMILESNc1cn(C2CCC(CO)CC2)nc1C(F)F
InChIInChI=1S/C11H17F2N3O/c12-11(13)10-9(14)5-16(15-10)8-3-1-7(6-17)2-4-8/h5,7-8,11,17H,1-4,6,14H2
InChIKeyFSCOBRKIDQVELJ-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.13
Rot. Bonds3

About [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol

[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol (PubChem CID 146598754) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
PubChem CID146598754
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
SMILESNc1cn(C2CCC(CO)CC2)nc1C(F)F
InChIInChI=1S/C11H17F2N3O/c12-11(13)10-9(14)5-16(15-10)8-3-1-7(6-17)2-4-8/h5,7-8,11,17H,1-4,6,14H2
InChIKeyFSCOBRKIDQVELJ-UHFFFAOYSA-N
XLogP2.13
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-Aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
CID 146598354
3-[[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methoxy]propan-1-ol
CID 146598411
[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methanol
CID 146598444
4-[[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methoxy]butan-1-ol
CID 146598508
Methyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598521
2-[[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methoxy]ethanamine
CID 146598529
2-[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]ethanol
CID 146598686
2-[[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methoxy]ethanol
CID 146598689
[4-[4-Amino-5-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 146598755
tert-butyl N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-N-methylcarbamate
CID 146598769
[4-[3-(Difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol
CID 146598787
2-[4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
CID 146598814

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
The IUPAC name of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol (CID 146598754) is [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol is Nc1cn(C2CCC(CO)CC2)nc1C(F)F.
What is the InChIKey of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
The InChIKey is FSCOBRKIDQVELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)10-9(14)5-16(15-10)8-3-1-7(6-17)2-4-8/h5,7-8,11,17H,1-4,6,14H2.
What are the key properties of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol has a molecular weight of 245.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 146598754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).