N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine

C13H23N3 — CID 64909426

IUPACN-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(c2ccnn2CC)C1C
InChIInChI=1S/C13H23N3/c1-4-14-12-7-6-11(10(12)3)13-8-9-15-16(13)5-2/h8-12,14H,4-7H2,1-3H3
InChIKeyUBLXWFWIPDSNRX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.39
Rot. Bonds4

About N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine

N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine (PubChem CID 64909426) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine
PubChem CID64909426
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(c2ccnn2CC)C1C
InChIInChI=1S/C13H23N3/c1-4-14-12-7-6-11(10(12)3)13-8-9-15-16(13)5-2/h8-12,14H,4-7H2,1-3H3
InChIKeyUBLXWFWIPDSNRX-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine (CID 64909426) is N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine is CCNC1CCC(c2ccnn2CC)C1C.
What is the InChIKey of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
The InChIKey is UBLXWFWIPDSNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-14-12-7-6-11(10(12)3)13-8-9-15-16(13)5-2/h8-12,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine?
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64909426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).