3-(1,3-dimethylpyrazol-4-yl)butan-2-ol

C9H16N2O — CID 66436534

IUPAC3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
SMILESCc1nn(C)cc1C(C)C(C)O
InChIInChI=1S/C9H16N2O/c1-6(8(3)12)9-5-11(4)10-7(9)2/h5-6,8,12H,1-4H3
InChIKeyNRJTTWUWSRMNPL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.21
Rot. Bonds2

About 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol

3-(1,3-dimethylpyrazol-4-yl)butan-2-ol (PubChem CID 66436534) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
PubChem CID66436534
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
SMILESCc1nn(C)cc1C(C)C(C)O
InChIInChI=1S/C9H16N2O/c1-6(8(3)12)9-5-11(4)10-7(9)2/h5-6,8,12H,1-4H3
InChIKeyNRJTTWUWSRMNPL-UHFFFAOYSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
CID 95567318
3-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanenitrile
CID 83093884
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83088538
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
4-(1-bromopropan-2-yl)-1,3-dimethylpyrazole
CID 66470862

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol (CID 66436534) is 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol is Cc1nn(C)cc1C(C)C(C)O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol?
The InChIKey is NRJTTWUWSRMNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(8(3)12)9-5-11(4)10-7(9)2/h5-6,8,12H,1-4H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol?
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 66436534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).