(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol

C9H16N2O — CID 54850651

IUPAC(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol
SMILESCc1[nH]nc(C(C)(C)C)c1CO
InChIInChI=1S/C9H16N2O/c1-6-7(5-12)8(11-10-6)9(2,3)4/h12H,5H2,1-4H3,(H,10,11)
InChIKeyOLQWSEIVFXYTAY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.51
Rot. Bonds1

About (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol

(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol (PubChem CID 54850651) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol
PubChem CID54850651
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol
SMILESCc1[nH]nc(C(C)(C)C)c1CO
InChIInChI=1S/C9H16N2O/c1-6-7(5-12)8(11-10-6)9(2,3)4/h12H,5H2,1-4H3,(H,10,11)
InChIKeyOLQWSEIVFXYTAY-UHFFFAOYSA-N
XLogP1.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methyl-1H-pyrazol-4-yl)methanol
CID 84662967
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol
CID 64550985
3-tert-butyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 160726622
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol
CID 115751874
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 106328145
(3-cyclopentyl-5-methyl-1H-pyrazol-4-yl)methanol
CID 121212716
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 55282490
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane
CID 163231919
(3-heptyl-5-methyl-1H-pyrazol-4-yl)methanol
CID 54850793
N-(2-cyclopropylpropan-2-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106001191
[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54851051
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol (CID 54850651) is (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol is Cc1[nH]nc(C(C)(C)C)c1CO.
What is the InChIKey of (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol?
The InChIKey is OLQWSEIVFXYTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-7(5-12)8(11-10-6)9(2,3)4/h12H,5H2,1-4H3,(H,10,11).
What are the key properties of (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol?
(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 54850651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).