3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C12H17F3N6O — CID 110006205

IUPAC3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCCn1nnnc1Cn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N6O/c1-2-5-21-10(16-18-19-21)8-20-7-9(4-3-6-22)11(17-20)12(13,14)15/h7,22H,2-6,8H2,1H3
InChIKeyYYJISAMIJXRZNO-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.27
Rot. Bonds7

About 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 110006205) has the molecular formula C12H17F3N6O and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID110006205
Molecular FormulaC12H17F3N6O
Molecular Weight318.30 g/mol
Exact Mass318.14
IUPAC Name3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCCn1nnnc1Cn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N6O/c1-2-5-21-10(16-18-19-21)8-20-7-9(4-3-6-22)11(17-20)12(13,14)15/h7,22H,2-6,8H2,1H3
InChIKeyYYJISAMIJXRZNO-UHFFFAOYSA-N
XLogP1.27
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 126767746
2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86814697
3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006261
2-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006291
3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006229
1-[1-[(1-butyltetrazol-5-yl)methyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62582142
1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine
CID 79530668
5-[(4-chloropyrazol-1-yl)methyl]-1-propyltetrazole
CID 100663911
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99819881
2-[1-pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 110006205) is 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is CCCn1nnnc1Cn1cc(CCCO)c(C(F)(F)F)n1.
What is the InChIKey of 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is YYJISAMIJXRZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N6O/c1-2-5-21-10(16-18-19-21)8-20-7-9(4-3-6-22)11(17-20)12(13,14)15/h7,22H,2-6,8H2,1H3.
What are the key properties of 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 318.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 110006205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).