(1,3,5-trimethylpyrazol-4-yl)methanol

C7H12N2O — CID 7172184

IUPAC(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1CO
InChIInChI=1S/C7H12N2O/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3
InChIKeyCIZQKYSGJAQKTI-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.53
Rot. Bonds1

About (1,3,5-trimethylpyrazol-4-yl)methanol

(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 7172184) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID7172184
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1CO
InChIInChI=1S/C7H12N2O/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3
InChIKeyCIZQKYSGJAQKTI-UHFFFAOYSA-N
XLogP0.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005918
2-amino-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 16767727
1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005932
(4-Iodo-1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 71307692
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
CID 7172183
5-fluoro-1-methyl-3-trifluoromethyl-1H-pyrazole-4-methanol
CID 17862892
(4-Tert-butyl-5-fluoro-1-methylpyrazol-3-yl)methanol
CID 57709484
1H-Pyrazole-4-methanol, 1,5-dimethyl-3-(trifluoromethyl)-
CID 59196731
(4-Ethyl-5-fluoro-1-methylpyrazol-3-yl)methanol
CID 68381609
[3-Methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 68630013
[5-Methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 68630194
[1-methyl-5-[(E)-prop-1-enyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 68959700

Frequently Asked Questions

What is the IUPAC name of (1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of (1,3,5-trimethylpyrazol-4-yl)methanol (CID 7172184) is (1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for (1,3,5-trimethylpyrazol-4-yl)methanol is Cc1nn(C)c(C)c1CO.
What is the InChIKey of (1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is CIZQKYSGJAQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3.
What are the key properties of (1,3,5-trimethylpyrazol-4-yl)methanol?
(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 7172184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).