4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol

C16H22N2O — CID 105091442

IUPAC4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H22N2O/c1-16(2,3)11-9-15(19)14-10-12-18(17-14)13-7-5-4-6-8-13/h4-8,10,12,15,19H,9,11H2,1-3H3
InChIKeyJMUBKMLVGDNGIV-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.73
Rot. Bonds4

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

4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol (PubChem CID 105091442) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
PubChem CID105091442
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H22N2O/c1-16(2,3)11-9-15(19)14-10-12-18(17-14)13-7-5-4-6-8-13/h4-8,10,12,15,19H,9,11H2,1-3H3
InChIKeyJMUBKMLVGDNGIV-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105120552
4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
CID 105089447
[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine
CID 105313886
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115204
2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105126317
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
furan-2-yl-(1-phenylpyrazol-3-yl)methanol
CID 105097286
(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 105097959

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol (CID 105091442) is 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol is CC(C)(C)CCC(O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
The InChIKey is JMUBKMLVGDNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)11-9-15(19)14-10-12-18(17-14)13-7-5-4-6-8-13/h4-8,10,12,15,19H,9,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol is sourced from PubChem (CID 105091442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).