(4-propan-2-yl-1H-pyrazol-5-yl)methanol

C7H12N2O — CID 68721721

IUPAC(4-propan-2-yl-1H-pyrazol-5-yl)methanol
SMILESCC(C)c1cn[nH]c1CO
InChIInChI=1S/C7H12N2O/c1-5(2)6-3-8-9-7(6)4-10/h3,5,10H,4H2,1-2H3,(H,8,9)
InChIKeyNGFNTXLMBVIOPM-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.03
Rot. Bonds2

About (4-propan-2-yl-1H-pyrazol-5-yl)methanol

(4-propan-2-yl-1H-pyrazol-5-yl)methanol (PubChem CID 68721721) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (4-propan-2-yl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-yl-1H-pyrazol-5-yl)methanol
PubChem CID68721721
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(4-propan-2-yl-1H-pyrazol-5-yl)methanol
SMILESCC(C)c1cn[nH]c1CO
InChIInChI=1S/C7H12N2O/c1-5(2)6-3-8-9-7(6)4-10/h3,5,10H,4H2,1-2H3,(H,8,9)
InChIKeyNGFNTXLMBVIOPM-UHFFFAOYSA-N
XLogP1.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20648899
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(5-cyclopropyl-1H-pyrazol-4-yl)methanol
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(3,4-Dimethyl-1H-pyrazol-5-yl)methanol
CID 18401729
1-[4-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
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[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 133637986
[4-(difluoromethyl)-1H-pyrazol-5-yl]methanol
CID 178650648
2-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82657158
(2S)-2-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 96856910
(2R)-2-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 96856911
3-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 165647298

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1H-pyrazol-5-yl)methanol?
The IUPAC name of (4-propan-2-yl-1H-pyrazol-5-yl)methanol (CID 68721721) is (4-propan-2-yl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (4-propan-2-yl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for (4-propan-2-yl-1H-pyrazol-5-yl)methanol is CC(C)c1cn[nH]c1CO.
What is the InChIKey of (4-propan-2-yl-1H-pyrazol-5-yl)methanol?
The InChIKey is NGFNTXLMBVIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6-3-8-9-7(6)4-10/h3,5,10H,4H2,1-2H3,(H,8,9).
What are the key properties of (4-propan-2-yl-1H-pyrazol-5-yl)methanol?
(4-propan-2-yl-1H-pyrazol-5-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 68721721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).