1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol

C12H22N2O — CID 115811450

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
SMILESCc1cc(CC(O)C(C)C(C)C)n(C)n1
InChIInChI=1S/C12H22N2O/c1-8(2)10(4)12(15)7-11-6-9(3)13-14(11)5/h6,8,10,12,15H,7H2,1-5H3
InChIKeyISMROSKLIMEKNC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.92
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol

1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol (PubChem CID 115811450) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
PubChem CID115811450
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
SMILESCc1cc(CC(O)C(C)C(C)C)n(C)n1
InChIInChI=1S/C12H22N2O/c1-8(2)10(4)12(15)7-11-6-9(3)13-14(11)5/h6,8,10,12,15H,7H2,1-5H3
InChIKeyISMROSKLIMEKNC-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
[1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226150
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
[1-(2,5-dimethylpyrazol-3-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105315889
1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811424

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol (CID 115811450) is 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol is Cc1cc(CC(O)C(C)C(C)C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol?
The InChIKey is ISMROSKLIMEKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(2)10(4)12(15)7-11-6-9(3)13-14(11)5/h6,8,10,12,15H,7H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol?
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol is sourced from PubChem (CID 115811450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).