1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine

C15H20N4 — CID 62138451

IUPAC1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN2CCC(c3ccccc3)C2)c1
InChIInChI=1S/C15H20N4/c16-15-10-17-19(12-15)9-8-18-7-6-14(11-18)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11,16H2
InChIKeyLNZDGIIGCSZKRZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine

1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine (PubChem CID 62138451) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
PubChem CID62138451
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN2CCC(c3ccccc3)C2)c1
InChIInChI=1S/C15H20N4/c16-15-10-17-19(12-15)9-8-18-7-6-14(11-18)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11,16H2
InChIKeyLNZDGIIGCSZKRZ-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine (CID 62138451) is 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine is Nc1cnn(CCN2CCC(c3ccccc3)C2)c1.
What is the InChIKey of 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is LNZDGIIGCSZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-15-10-17-19(12-15)9-8-18-7-6-14(11-18)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11,16H2.
What are the key properties of 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 256.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).