4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol

C16H30ClN3O — CID 114865114

IUPAC4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C16H30ClN3O/c1-12(2)9-16(21,10-13(3)4)15-14(17)11-18-20(15)8-7-19(5)6/h11-13,21H,7-10H2,1-6H3
InChIKeyDSDGLJYDVOZJBM-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.38
Rot. Bonds8

About 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol

4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol (PubChem CID 114865114) has the molecular formula C16H30ClN3O and a molecular weight of 315.89 g/mol. Its IUPAC name is 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol
PubChem CID114865114
Molecular FormulaC16H30ClN3O
Molecular Weight315.89 g/mol
Exact Mass315.21
IUPAC Name4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C16H30ClN3O/c1-12(2)9-16(21,10-13(3)4)15-14(17)11-18-20(15)8-7-19(5)6/h11-13,21H,7-10H2,1-6H3
InChIKeyDSDGLJYDVOZJBM-UHFFFAOYSA-N
XLogP3.38
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
CID 114636632
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
CID 114666035
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
CID 114633412
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
CID 114910706
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 114635759
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(methylamino)propan-1-one
CID 114668966
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-methylpentan-1-one
CID 115802658
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpropanal
CID 114663637

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol (CID 114865114) is 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol is CC(C)CC(O)(CC(C)C)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol?
The InChIKey is DSDGLJYDVOZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClN3O/c1-12(2)9-16(21,10-13(3)4)15-14(17)11-18-20(15)8-7-19(5)6/h11-13,21H,7-10H2,1-6H3.
What are the key properties of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol?
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol has a molecular weight of 315.89 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).