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

C11H16F3N3O — CID 146599838

IUPAC[4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
SMILESNc1cn(C2CCC(CO)CC2)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-9(15)5-17(16-10)8-3-1-7(6-18)2-4-8/h5,7-8,18H,1-4,6,15H2
InChIKeyTUFLVFIAQYPPAI-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.21
Rot. Bonds2

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

[4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol (PubChem CID 146599838) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
PubChem CID146599838
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
SMILESNc1cn(C2CCC(CO)CC2)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-9(15)5-17(16-10)8-3-1-7(6-18)2-4-8/h5,7-8,18H,1-4,6,15H2
InChIKeyTUFLVFIAQYPPAI-UHFFFAOYSA-N
XLogP2.21
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
The IUPAC name of [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol (CID 146599838) is [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol is Nc1cn(C2CCC(CO)CC2)nc1C(F)(F)F.
What is the InChIKey of [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
The InChIKey is TUFLVFIAQYPPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)10-9(15)5-17(16-10)8-3-1-7(6-18)2-4-8/h5,7-8,18H,1-4,6,15H2.
What are the key properties of [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol?
[4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol has a molecular weight of 263.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 146599838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).