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

C11H17F2N3O — CID 164596397

IUPAC[4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol
SMILESNc1cn(C(O)C2CCCCC2)nc1C(F)F
InChIInChI=1S/C11H17F2N3O/c12-10(13)9-8(14)6-16(15-9)11(17)7-4-2-1-3-5-7/h6-7,10-11,17H,1-5,14H2
InChIKeyGNNAIDNNXNPLBS-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.47
Rot. Bonds3

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

[4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol (PubChem CID 164596397) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol.

Molecular Properties

Compound Name[4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol
PubChem CID164596397
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol
SMILESNc1cn(C(O)C2CCCCC2)nc1C(F)F
InChIInChI=1S/C11H17F2N3O/c12-10(13)9-8(14)6-16(15-9)11(17)7-4-2-1-3-5-7/h6-7,10-11,17H,1-5,14H2
InChIKeyGNNAIDNNXNPLBS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol?
The IUPAC name of [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol (CID 164596397) is [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol.
What is the SMILES notation for [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol?
The canonical SMILES for [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol is Nc1cn(C(O)C2CCCCC2)nc1C(F)F.
What is the InChIKey of [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol?
The InChIKey is GNNAIDNNXNPLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-10(13)9-8(14)6-16(15-9)11(17)7-4-2-1-3-5-7/h6-7,10-11,17H,1-5,14H2.
What are the key properties of [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol?
[4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol has a molecular weight of 245.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol is sourced from PubChem (CID 164596397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).