2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine

C14H18N4 — CID 43150728

IUPAC2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18N4/c15-14-6-8-16-18(14)13-7-9-17(11-13)10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11,15H2
InChIKeyPCEMWNOPCGJGPF-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine

2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine (PubChem CID 43150728) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine
PubChem CID43150728
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18N4/c15-14-6-8-16-18(14)13-7-9-17(11-13)10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11,15H2
InChIKeyPCEMWNOPCGJGPF-UHFFFAOYSA-N
XLogP1.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine (CID 43150728) is 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine is Nc1ccnn1C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine?
The InChIKey is PCEMWNOPCGJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-14-6-8-16-18(14)13-7-9-17(11-13)10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11,15H2.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine?
2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)pyrazol-3-amine is sourced from PubChem (CID 43150728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).