1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol

C16H27ClN2O2 — CID 114636297

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(c2c(Cl)cnn2CCOC)CC1
InChIInChI=1S/C16H27ClN2O2/c1-3-5-13-6-4-8-16(20,9-7-13)15-14(17)12-18-19(15)10-11-21-2/h12-13,20H,3-11H2,1-2H3
InChIKeyIQXOEOUBSINICR-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.75
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol (PubChem CID 114636297) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
PubChem CID114636297
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(c2c(Cl)cnn2CCOC)CC1
InChIInChI=1S/C16H27ClN2O2/c1-3-5-13-6-4-8-16(20,9-7-13)15-14(17)12-18-19(15)10-11-21-2/h12-13,20H,3-11H2,1-2H3
InChIKeyIQXOEOUBSINICR-UHFFFAOYSA-N
XLogP3.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-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

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114637213
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4,4-dimethylcycloheptan-1-ol
CID 114636278
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
CID 114633263
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
CID 114633294

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol (CID 114636297) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(c2c(Cl)cnn2CCOC)CC1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol?
The InChIKey is IQXOEOUBSINICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-3-5-13-6-4-8-16(20,9-7-13)15-14(17)12-18-19(15)10-11-21-2/h12-13,20H,3-11H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol has a molecular weight of 314.86 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 114636297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).