3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine

C16H22N4 — CID 64952189

IUPAC3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine
SMILESCC(C)n1cc(N2CCNC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H22N4/c1-13(2)20-11-15(10-18-20)19-9-8-17-16(12-19)14-6-4-3-5-7-14/h3-7,10-11,13,16-17H,8-9,12H2,1-2H3
InChIKeyPODCPDWEPPKMPL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.61
Rot. Bonds3

About 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine

3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine (PubChem CID 64952189) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine
PubChem CID64952189
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine
SMILESCC(C)n1cc(N2CCNC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H22N4/c1-13(2)20-11-15(10-18-20)19-9-8-17-16(12-19)14-6-4-3-5-7-14/h3-7,10-11,13,16-17H,8-9,12H2,1-2H3
InChIKeyPODCPDWEPPKMPL-UHFFFAOYSA-N
XLogP2.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 64943935
3-cyclohexyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine
CID 64951986
1,3-diphenyl-1,4-diazepane
CID 64944093
1-(2-methylsulfanylphenyl)-3-phenylpiperazine
CID 107646407
1-(3-iodophenyl)-3-phenylpiperazine
CID 64926086
N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
CID 115379314
1-chloro-3-phenylpiperazine
CID 18428014
1-(2,6-dibromophenyl)-3-phenylpiperazine
CID 107603858
1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64943123
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344
1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
CID 64924639
1-propan-2-yl-4-pyrrolidin-2-ylpyrazole
CID 83828132

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine?
The IUPAC name of 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine (CID 64952189) is 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine.
What is the SMILES notation for 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine?
The canonical SMILES for 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine is CC(C)n1cc(N2CCNC(c3ccccc3)C2)cn1.
What is the InChIKey of 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine?
The InChIKey is PODCPDWEPPKMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(2)20-11-15(10-18-20)19-9-8-17-16(12-19)14-6-4-3-5-7-14/h3-7,10-11,13,16-17H,8-9,12H2,1-2H3.
What are the key properties of 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine?
3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine has a molecular weight of 270.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine is sourced from PubChem (CID 64952189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).