4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

C10H15F2N3O — CID 169120248

IUPAC4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESNc1cn(C2CCC(O)CC2)nc1C(F)F
InChIInChI=1S/C10H15F2N3O/c11-10(12)9-8(13)5-15(14-9)6-1-3-7(16)4-2-6/h5-7,10,16H,1-4,13H2
InChIKeyZMOXMLMZELBMPZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.88
Rot. Bonds2

About 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 169120248) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID169120248
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESNc1cn(C2CCC(O)CC2)nc1C(F)F
InChIInChI=1S/C10H15F2N3O/c11-10(12)9-8(13)5-15(14-9)6-1-3-7(16)4-2-6/h5-7,10,16H,1-4,13H2
InChIKeyZMOXMLMZELBMPZ-UHFFFAOYSA-N
XLogP1.88
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.88
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-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 169120248) is 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is Nc1cn(C2CCC(O)CC2)nc1C(F)F.
What is the InChIKey of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is ZMOXMLMZELBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)9-8(13)5-15(14-9)6-1-3-7(16)4-2-6/h5-7,10,16H,1-4,13H2.
What are the key properties of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 231.25 g/mol, XLogP of 1.88, 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-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 169120248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).