3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol

C12H22N2O — CID 114495867

IUPAC3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cn1nc(C)c(C)c1C
InChIInChI=1S/C12H22N2O/c1-6-12(15,7-2)8-14-11(5)9(3)10(4)13-14/h15H,6-8H2,1-5H3
InChIKeyDSBHEOZKSVHJOT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.36
Rot. Bonds4

About 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol

3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol (PubChem CID 114495867) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol
PubChem CID114495867
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cn1nc(C)c(C)c1C
InChIInChI=1S/C12H22N2O/c1-6-12(15,7-2)8-14-11(5)9(3)10(4)13-14/h15H,6-8H2,1-5H3
InChIKeyDSBHEOZKSVHJOT-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 79621605
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64809877
1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 64821644
1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol
CID 114495869
2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64811763
3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
CID 131141477
1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 164946156
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284
4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 141179063
N,N-dimethyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 60982104
2,2-dimethyl-4-(3,4,5-trimethylpyrazol-1-yl)butanethioamide
CID 65248708
1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 64821238

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol (CID 114495867) is 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol is CCC(O)(CC)Cn1nc(C)c(C)c1C.
What is the InChIKey of 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol?
The InChIKey is DSBHEOZKSVHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-12(15,7-2)8-14-11(5)9(3)10(4)13-14/h15H,6-8H2,1-5H3.
What are the key properties of 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol?
3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol has a molecular weight of 210.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethylpyrazol-1-yl)methyl]pentan-3-ol is sourced from PubChem (CID 114495867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).