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

C12H19F2N3O — CID 146598787

IUPAC[4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol
SMILESCNc1cn(C2CCC(CO)CC2)nc1C(F)F
InChIInChI=1S/C12H19F2N3O/c1-15-10-6-17(16-11(10)12(13)14)9-4-2-8(7-18)3-5-9/h6,8-9,12,15,18H,2-5,7H2,1H3
InChIKeyYTVZXXYNOMDUIS-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.59
Rot. Bonds4

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

[4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol (PubChem CID 146598787) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol
PubChem CID146598787
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name[4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol
SMILESCNc1cn(C2CCC(CO)CC2)nc1C(F)F
InChIInChI=1S/C12H19F2N3O/c1-15-10-6-17(16-11(10)12(13)14)9-4-2-8(7-18)3-5-9/h6,8-9,12,15,18H,2-5,7H2,1H3
InChIKeyYTVZXXYNOMDUIS-UHFFFAOYSA-N
XLogP2.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.59
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
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
Cyclohexanemethanol, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, trans-
CID 146598754
[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
tert-butyl N-[3-(difluoromethyl)-1-[4-(prop-2-ynoxymethyl)cyclohexyl]pyrazol-4-yl]carbamate
CID 146598797
2-[4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
CID 146598814
3-(Difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine
CID 146598858

Frequently Asked Questions

What is the IUPAC name of [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol?
The IUPAC name of [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol (CID 146598787) is [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol is CNc1cn(C2CCC(CO)CC2)nc1C(F)F.
What is the InChIKey of [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol?
The InChIKey is YTVZXXYNOMDUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-15-10-6-17(16-11(10)12(13)14)9-4-2-8(7-18)3-5-9/h6,8-9,12,15,18H,2-5,7H2,1H3.
What are the key properties of [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol?
[4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol has a molecular weight of 259.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 146598787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).