2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine

C17H24N4 — CID 110109099

IUPAC2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1cc(CN2CCNCC2c2ccccc2)cn1
InChIInChI=1S/C17H24N4/c1-2-9-21-14-15(11-19-21)13-20-10-8-18-12-17(20)16-6-4-3-5-7-16/h3-7,11,14,17-18H,2,8-10,12-13H2,1H3
InChIKeyAQMMZZGBANNVNY-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.44
Rot. Bonds5

About 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine

2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine (PubChem CID 110109099) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
PubChem CID110109099
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1cc(CN2CCNCC2c2ccccc2)cn1
InChIInChI=1S/C17H24N4/c1-2-9-21-14-15(11-19-21)13-20-10-8-18-12-17(20)16-6-4-3-5-7-16/h3-7,11,14,17-18H,2,8-10,12-13H2,1H3
InChIKeyAQMMZZGBANNVNY-UHFFFAOYSA-N
XLogP2.44
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910214
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124981538
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
CID 120768834
1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755227
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 120780133
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
CID 124660620
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine (CID 110109099) is 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine is CCCn1cc(CN2CCNCC2c2ccccc2)cn1.
What is the InChIKey of 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
The InChIKey is AQMMZZGBANNVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-9-21-14-15(11-19-21)13-20-10-8-18-12-17(20)16-6-4-3-5-7-16/h3-7,11,14,17-18H,2,8-10,12-13H2,1H3.
What are the key properties of 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine?
2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 110109099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).