3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine

C12H21N3 — CID 116539246

IUPAC3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine
SMILESCCn1nccc1C1(C)CCC(NC)C1
InChIInChI=1S/C12H21N3/c1-4-15-11(6-8-14-15)12(2)7-5-10(9-12)13-3/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyPKPRSDXSISNZQC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.93
Rot. Bonds3

About 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine

3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539246) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine
PubChem CID116539246
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine
SMILESCCn1nccc1C1(C)CCC(NC)C1
InChIInChI=1S/C12H21N3/c1-4-15-11(6-8-14-15)12(2)7-5-10(9-12)13-3/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyPKPRSDXSISNZQC-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine (CID 116539246) is 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine is CCn1nccc1C1(C)CCC(NC)C1.
What is the InChIKey of 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine?
The InChIKey is PKPRSDXSISNZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15-11(6-8-14-15)12(2)7-5-10(9-12)13-3/h6,8,10,13H,4-5,7,9H2,1-3H3.
What are the key properties of 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine?
3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrazol-3-yl)-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).