N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

C18H26N4 — CID 167773541

IUPACN-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCN(CCN1CCCC1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H26N4/c1-2-21(12-13-22-10-6-7-11-22)15-17-14-19-20-18(17)16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3,(H,19,20)
InChIKeySYUWTLOVGALZEX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.99
Rot. Bonds7

About N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 167773541) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID167773541
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCN(CCN1CCCC1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H26N4/c1-2-21(12-13-22-10-6-7-11-22)15-17-14-19-20-18(17)16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3,(H,19,20)
InChIKeySYUWTLOVGALZEX-UHFFFAOYSA-N
XLogP2.99
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine 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 N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 167773541) is N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is CCN(CCN1CCCC1)Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is SYUWTLOVGALZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-2-21(12-13-22-10-6-7-11-22)15-17-14-19-20-18(17)16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3,(H,19,20).
What are the key properties of N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 298.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 167773541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).