1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine

C15H20N4 — CID 56771532

IUPAC1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
SMILESCCc1ccc(-c2cc(N3CCC(N)C3)n[nH]2)cc1
InChIInChI=1S/C15H20N4/c1-2-11-3-5-12(6-4-11)14-9-15(18-17-14)19-8-7-13(16)10-19/h3-6,9,13H,2,7-8,10,16H2,1H3,(H,17,18)
InChIKeyZJEYUPCMVWDMPG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.18
Rot. Bonds3

About 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine

1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine (PubChem CID 56771532) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
PubChem CID56771532
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
SMILESCCc1ccc(-c2cc(N3CCC(N)C3)n[nH]2)cc1
InChIInChI=1S/C15H20N4/c1-2-11-3-5-12(6-4-11)14-9-15(18-17-14)19-8-7-13(16)10-19/h3-6,9,13H,2,7-8,10,16H2,1H3,(H,17,18)
InChIKeyZJEYUPCMVWDMPG-UHFFFAOYSA-N
XLogP2.18
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine (CID 56771532) is 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine is CCc1ccc(-c2cc(N3CCC(N)C3)n[nH]2)cc1.
What is the InChIKey of 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The InChIKey is ZJEYUPCMVWDMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-11-3-5-12(6-4-11)14-9-15(18-17-14)19-8-7-13(16)10-19/h3-6,9,13H,2,7-8,10,16H2,1H3,(H,17,18).
What are the key properties of 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine?
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 56771532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).