4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol

C11H21N3O — CID 64809852

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCn1nc(C)cc1C
InChIInChI=1S/C11H21N3O/c1-9-7-10(2)14(13-9)6-5-11(3,8-15)12-4/h7,12,15H,5-6,8H2,1-4H3
InChIKeyUHRUHPMTYAUBRN-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.86
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64809852) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64809852
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCn1nc(C)cc1C
InChIInChI=1S/C11H21N3O/c1-9-7-10(2)14(13-9)6-5-11(3,8-15)12-4/h7,12,15H,5-6,8H2,1-4H3
InChIKeyUHRUHPMTYAUBRN-UHFFFAOYSA-N
XLogP0.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810890
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CID 43648249
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
2-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113356416
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66170031
2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethanol
CID 12074287
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
CID 86240753
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol (CID 64809852) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCn1nc(C)cc1C.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is UHRUHPMTYAUBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-7-10(2)14(13-9)6-5-11(3,8-15)12-4/h7,12,15H,5-6,8H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64809852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).