3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol

C12H22N2O — CID 114981879

IUPAC3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
SMILESCC(CC(O)c1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-9(12(2,3)4)6-11(15)10-7-13-14(5)8-10/h7-9,11,15H,6H2,1-5H3
InChIKeyAUUPBKUFBMDPDV-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.53
Rot. Bonds3

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

3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol (PubChem CID 114981879) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
PubChem CID114981879
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
SMILESCC(CC(O)c1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-9(12(2,3)4)6-11(15)10-7-13-14(5)8-10/h7-9,11,15H,6H2,1-5H3
InChIKeyAUUPBKUFBMDPDV-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
2-(1-methylpyrazol-4-yl)-2-(3,4,4-trimethylpentanoylamino)acetic acid
CID 115288194
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216659
(1R)-2,2,2-trichloro-1-(1-methylpyrazol-4-yl)ethanol
CID 95969833
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103029608
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
2-(4-iodophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 65478279
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol?
The IUPAC name of 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol (CID 114981879) is 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol?
The canonical SMILES for 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol is CC(CC(O)c1cnn(C)c1)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol?
The InChIKey is AUUPBKUFBMDPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(12(2,3)4)6-11(15)10-7-13-14(5)8-10/h7-9,11,15H,6H2,1-5H3.
What are the key properties of 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol?
3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 114981879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).