1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol

C14H24ClN3O — CID 114633263

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
SMILESCN(C)CCn1ncc(Cl)c1C1(O)CCCCCC1
InChIInChI=1S/C14H24ClN3O/c1-17(2)9-10-18-13(12(15)11-16-18)14(19)7-5-3-4-6-8-14/h11,19H,3-10H2,1-2H3
InChIKeyXGYHJRIFIYPUEE-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.64
Rot. Bonds4

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

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol (PubChem CID 114633263) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
PubChem CID114633263
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
SMILESCN(C)CCn1ncc(Cl)c1C1(O)CCCCCC1
InChIInChI=1S/C14H24ClN3O/c1-17(2)9-10-18-13(12(15)11-16-18)14(19)7-5-3-4-6-8-14/h11,19H,3-10H2,1-2H3
InChIKeyXGYHJRIFIYPUEE-UHFFFAOYSA-N
XLogP2.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-propan-2-ylpiperidin-4-ol
CID 114633711
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol
CID 114633883
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-5-methylthiolan-3-ol
CID 114636853
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635870
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylthian-3-ol
CID 114636880
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylcyclohexan-1-ol
CID 114635932
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-methylpiperidin-3-ol
CID 114637451
(1-aminocyclobutyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670583

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol (CID 114633263) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol is CN(C)CCn1ncc(Cl)c1C1(O)CCCCCC1.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol?
The InChIKey is XGYHJRIFIYPUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-17(2)9-10-18-13(12(15)11-16-18)14(19)7-5-3-4-6-8-14/h11,19H,3-10H2,1-2H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol has a molecular weight of 285.82 g/mol, XLogP of 2.64, 4 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-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol is sourced from PubChem (CID 114633263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).