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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Related Compounds

1-phenyl-1H-pyrazol-3-amine
CID 594320
6,7-Difluoro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759107
4-(4-Cyclopropylmethyl-1-piperazinyl)-7-fluoro-2-methyl-2,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine
CID 135759121
7-Fluoro-10-(4-methyl-piperazin-1-yl)-2-propyl-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759127
Pyridine, 2-(4-aminopyrazol-1-yl)-
CID 206681
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
1-(2-Fluorophenyl)-3-(2-((5-(pyrrolidin-1-yl)pyridazin-3-yl)amino)ethyl)urea
CID 71807479
7-fluoro-2-hexyl-4-(4-methylpiperazin-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine;hydrochloride
CID 136179518
1-Methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
CID 136961394
7-Iodo-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759090
7-fluoro-2-methyl-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10H-pyrazolo[3,4-b][1,5]benzodiazepine
CID 135759113
2-Methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759093

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).