2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol

C13H24N2O — CID 114865466

IUPAC2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1cnn(C)c1
InChIInChI=1S/C13H24N2O/c1-10(2)6-13(16,7-11(3)4)12-8-14-15(5)9-12/h8-11,16H,6-7H2,1-5H3
InChIKeyZASUJWRQIFCSGH-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.70
Rot. Bonds5

About 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol

2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol (PubChem CID 114865466) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
PubChem CID114865466
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1cnn(C)c1
InChIInChI=1S/C13H24N2O/c1-10(2)6-13(16,7-11(3)4)12-8-14-15(5)9-12/h8-11,16H,6-7H2,1-5H3
InChIKeyZASUJWRQIFCSGH-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
4-(4-bromo-2-methylpentan-2-yl)-1-methylpyrazole
CID 64717917
2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
CID 79007571
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
CID 82412575
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 130705017
1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 71907392
2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
CID 111755740

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol?
The IUPAC name of 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol (CID 114865466) is 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol is CC(C)CC(O)(CC(C)C)c1cnn(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol?
The InChIKey is ZASUJWRQIFCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)6-13(16,7-11(3)4)12-8-14-15(5)9-12/h8-11,16H,6-7H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol?
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol has a molecular weight of 224.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol is sourced from PubChem (CID 114865466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).