4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol

C15H27BrN2O — CID 114865658

IUPAC4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H27BrN2O/c1-10(2)7-15(19,8-11(3)4)14-13(16)9-17-18(14)12(5)6/h9-12,19H,7-8H2,1-6H3
InChIKeySKQIQPSPWGVEBU-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.51
Rot. Bonds6

About 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol

4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol (PubChem CID 114865658) has the molecular formula C15H27BrN2O and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
PubChem CID114865658
Molecular FormulaC15H27BrN2O
Molecular Weight331.30 g/mol
Exact Mass330.13
IUPAC Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H27BrN2O/c1-10(2)7-15(19,8-11(3)4)14-13(16)9-17-18(14)12(5)6/h9-12,19H,7-8H2,1-6H3
InChIKeySKQIQPSPWGVEBU-UHFFFAOYSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
CID 114633735
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636350
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)heptan-2-ol
CID 114637132
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666040
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3,5-difluorophenyl)ethanol
CID 114637010
5-tert-butyl-1-propan-2-ylpyrazol-4-amine
CID 105439735
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid
CID 83904327
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
CID 114865466
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114670019

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol (CID 114865658) is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol is CC(C)CC(O)(CC(C)C)c1c(Br)cnn1C(C)C.
What is the InChIKey of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol?
The InChIKey is SKQIQPSPWGVEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2O/c1-10(2)7-15(19,8-11(3)4)14-13(16)9-17-18(14)12(5)6/h9-12,19H,7-8H2,1-6H3.
What are the key properties of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol?
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol has a molecular weight of 331.30 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).