3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine

C11H18ClN3 — CID 114664100

IUPAC3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2c(Cl)cnn2C)C1
InChIInChI=1S/C11H18ClN3/c1-3-13-9-5-4-8(6-9)11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyHGCYECZYSBQZPJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine

3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine (PubChem CID 114664100) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
PubChem CID114664100
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2c(Cl)cnn2C)C1
InChIInChI=1S/C11H18ClN3/c1-3-13-9-5-4-8(6-9)11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyHGCYECZYSBQZPJ-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine (CID 114664100) is 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine is CCNC1CCC(c2c(Cl)cnn2C)C1.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine?
The InChIKey is HGCYECZYSBQZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-13-9-5-4-8(6-9)11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine?
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 114664100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).