[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol

C10H14F3N3O — CID 71033684

IUPAC[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-7(6-17)5-15-16(9)8-1-3-14-4-2-8/h5,8,14,17H,1-4,6H2
InChIKeyMFYBBKANMSCJBK-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.32
Rot. Bonds2

About [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol

[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 71033684) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID71033684
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-7(6-17)5-15-16(9)8-1-3-14-4-2-8/h5,8,14,17H,1-4,6H2
InChIKeyMFYBBKANMSCJBK-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 2807828
[5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 66437455
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 119031793
(4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-3-yl)methanol
CID 92801252
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 21039553
[1-Prop-2-ynyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 22392091
[1-Ethyl-3-trifluoromethyl-1H-pyrazol-4-yl]-methanol
CID 57574509
(1-isobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 58020550
[1-Cyclohexyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020555
[1-Cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020670
[1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020671
1-(Cyclohexylmethyl)-4-hydroxymethyl-3-(trifluoromethyl)-1H-pyrazole
CID 58020861

Frequently Asked Questions

What is the IUPAC name of [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 71033684) is [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cnn(C2CCNCC2)c1C(F)(F)F.
What is the InChIKey of [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is MFYBBKANMSCJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)9-7(6-17)5-15-16(9)8-1-3-14-4-2-8/h5,8,14,17H,1-4,6H2.
What are the key properties of [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 249.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 71033684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).