1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine

C14H19N5 — CID 103077808

IUPAC1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine
SMILESCn1cc(N)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C14H19N5/c1-17-11-13(15)14(16-17)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3
InChIKeyFKIHPMQSDPQYJH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.33
Rot. Bonds2

About 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine

1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine (PubChem CID 103077808) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine
PubChem CID103077808
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine
SMILESCn1cc(N)c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C14H19N5/c1-17-11-13(15)14(16-17)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3
InChIKeyFKIHPMQSDPQYJH-UHFFFAOYSA-N
XLogP1.33
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine (CID 103077808) is 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine is Cn1cc(N)c(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine?
The InChIKey is FKIHPMQSDPQYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-17-11-13(15)14(16-17)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3.
What are the key properties of 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine?
1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine is sourced from PubChem (CID 103077808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).