2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol

C11H20N2O — CID 130529005

IUPAC2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
SMILESCC(C)C(O)(c1ccn(C)n1)C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)11(14,9(3)4)10-6-7-13(5)12-10/h6-9,14H,1-5H3
InChIKeyDTTTUKRYKMSXAF-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.92
Rot. Bonds3

About 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol

2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol (PubChem CID 130529005) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
PubChem CID130529005
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
SMILESCC(C)C(O)(c1ccn(C)n1)C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)11(14,9(3)4)10-6-7-13(5)12-10/h6-9,14H,1-5H3
InChIKeyDTTTUKRYKMSXAF-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130270
2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
CID 103130216
3-(4-chloro-2-methylpentan-2-yl)-1-methylpyrazole
CID 103131988
(1S)-1-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanol
CID 124638248
1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130179
1-cyclopropyl-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130333
3-tert-butyl-1-[4-methyl-4-(1-methylpyrazol-3-yl)pentan-2-yl]pyrazole
CID 170364696
1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 103130169
3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid
CID 118871823
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997
2-(1-methylpyrazol-3-yl)-2-nitropropan-1-ol
CID 118318131
1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 103130101

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol?
The IUPAC name of 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol (CID 130529005) is 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol.
What is the SMILES notation for 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol?
The canonical SMILES for 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol is CC(C)C(O)(c1ccn(C)n1)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol?
The InChIKey is DTTTUKRYKMSXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)11(14,9(3)4)10-6-7-13(5)12-10/h6-9,14H,1-5H3.
What are the key properties of 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol?
2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol is sourced from PubChem (CID 130529005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).