N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine

C15H21N5 — CID 174722510

IUPACN-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine
SMILESc1ccc(Nc2cnn(CCN3CCNCC3)c2)cc1
InChIInChI=1S/C15H21N5/c1-2-4-14(5-3-1)18-15-12-17-20(13-15)11-10-19-8-6-16-7-9-19/h1-5,12-13,16,18H,6-11H2
InChIKeyICHAPKPSKOHIFZ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.53
Rot. Bonds5

About N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine

N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine (PubChem CID 174722510) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine
PubChem CID174722510
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine
SMILESc1ccc(Nc2cnn(CCN3CCNCC3)c2)cc1
InChIInChI=1S/C15H21N5/c1-2-4-14(5-3-1)18-15-12-17-20(13-15)11-10-19-8-6-16-7-9-19/h1-5,12-13,16,18H,6-11H2
InChIKeyICHAPKPSKOHIFZ-UHFFFAOYSA-N
XLogP1.53
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine?
The IUPAC name of N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine (CID 174722510) is N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine.
What is the SMILES notation for N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine?
The canonical SMILES for N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine is c1ccc(Nc2cnn(CCN3CCNCC3)c2)cc1.
What is the InChIKey of N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine?
The InChIKey is ICHAPKPSKOHIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-4-14(5-3-1)18-15-12-17-20(13-15)11-10-19-8-6-16-7-9-19/h1-5,12-13,16,18H,6-11H2.
What are the key properties of N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine?
N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine has a molecular weight of 271.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 174722510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).