[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol

C8H13FN2O — CID 163425053

IUPAC[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
SMILESCc1c(C(C)(C)F)n[nH]c1CO
InChIInChI=1S/C8H13FN2O/c1-5-6(4-12)10-11-7(5)8(2,3)9/h12H,4H2,1-3H3,(H,10,11)
InChIKeyALTHZUHZQSILPR-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.42
Rot. Bonds2

About [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol

[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol (PubChem CID 163425053) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
PubChem CID163425053
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
SMILESCc1c(C(C)(C)F)n[nH]c1CO
InChIInChI=1S/C8H13FN2O/c1-5-6(4-12)10-11-7(5)8(2,3)9/h12H,4H2,1-3H3,(H,10,11)
InChIKeyALTHZUHZQSILPR-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
CID 657555
3-(3, 5-dimethyl-1H-pyrazol-4-yl) propan-1-ol
CID 105430140
(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
(4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 122163750
4-Hydroxybutyl-3,5-bis-(tetrafluoroethyl)pyrazole
CID 129877153
(3,4-Dimethyl-1H-pyrazol-5-yl)methanol
CID 18401729
[5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 14969645
2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol
CID 89032467
(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol
CID 89147280
1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol
CID 89147286
2-[4-fluoro-5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-2-ol
CID 117670170
1-[4-fluoro-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 117670183

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol (CID 163425053) is [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol is Cc1c(C(C)(C)F)n[nH]c1CO.
What is the InChIKey of [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol?
The InChIKey is ALTHZUHZQSILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-5-6(4-12)10-11-7(5)8(2,3)9/h12H,4H2,1-3H3,(H,10,11).
What are the key properties of [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol?
[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol has a molecular weight of 172.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 163425053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).