2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol

C18H26N2O — CID 107330039

IUPAC2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1ccnn1-c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(2)12-18(21,13-15(3)4)17-10-11-19-20(17)16-8-6-5-7-9-16/h5-11,14-15,21H,12-13H2,1-4H3
InChIKeyCXZIVUCPEDXVEB-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.15
Rot. Bonds6

About 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol

2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol (PubChem CID 107330039) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
PubChem CID107330039
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1ccnn1-c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(2)12-18(21,13-15(3)4)17-10-11-19-20(17)16-8-6-5-7-9-16/h5-11,14-15,21H,12-13H2,1-4H3
InChIKeyCXZIVUCPEDXVEB-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(3-phenyltriazol-4-yl)heptan-4-ol
CID 114865283
1-amino-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107329988
N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
CID 107331269
1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107330025
1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107329790
4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol
CID 114685496
1-(cyclopropylamino)-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107331455
1-(2-phenylpyrazol-3-yl)-1-thiophen-2-ylethanol
CID 107329817
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330304
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol?
The IUPAC name of 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol (CID 107330039) is 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol is CC(C)CC(O)(CC(C)C)c1ccnn1-c1ccccc1.
What is the InChIKey of 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol?
The InChIKey is CXZIVUCPEDXVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)12-18(21,13-15(3)4)17-10-11-19-20(17)16-8-6-5-7-9-16/h5-11,14-15,21H,12-13H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol?
2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol has a molecular weight of 286.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol is sourced from PubChem (CID 107330039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).