3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine

C13H23ClN4 — CID 114664092

IUPAC3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(c2c(Cl)cnn2CCN(C)C)C1
InChIInChI=1S/C13H23ClN4/c1-15-11-5-4-10(8-11)13-12(14)9-16-18(13)7-6-17(2)3/h9-11,15H,4-8H2,1-3H3
InChIKeyRUWWKPPAWSKDGI-UHFFFAOYSA-N
MW270.81 g/mol
LogP1.95
Rot. Bonds5

About 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine (PubChem CID 114664092) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine
PubChem CID114664092
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(c2c(Cl)cnn2CCN(C)C)C1
InChIInChI=1S/C13H23ClN4/c1-15-11-5-4-10(8-11)13-12(14)9-16-18(13)7-6-17(2)3/h9-11,15H,4-8H2,1-3H3
InChIKeyRUWWKPPAWSKDGI-UHFFFAOYSA-N
XLogP1.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine?
The IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine (CID 114664092) is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine is CNC1CCC(c2c(Cl)cnn2CCN(C)C)C1.
What is the InChIKey of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine?
The InChIKey is RUWWKPPAWSKDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-15-11-5-4-10(8-11)13-12(14)9-16-18(13)7-6-17(2)3/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine?
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine has a molecular weight of 270.81 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 114664092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).