(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone

C17H22N4O — CID 35325179

IUPAC(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-2-9-21-10-8-16(18-21)17(22)20-13-11-19(12-14-20)15-6-4-3-5-7-15/h3-8,10H,2,9,11-14H2,1H3
InChIKeyUICVMVYUMOCVJW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.26
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone

(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone (PubChem CID 35325179) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
PubChem CID35325179
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-2-9-21-10-8-16(18-21)17(22)20-13-11-19(12-14-20)15-6-4-3-5-7-15/h3-8,10H,2,9,11-14H2,1H3
InChIKeyUICVMVYUMOCVJW-UHFFFAOYSA-N
XLogP2.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 35325173
2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one
CID 53194342
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-propylpyrazol-3-yl)methanone
CID 35535451
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone
CID 95754521
[1-(difluoromethyl)pyrazol-3-yl]-(4-phenyl-1,4-diazepan-1-yl)methanone
CID 91780523
3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623576
(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone
CID 51100591
2-methyl-5-(4-phenylpiperazine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849778
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone (CID 35325179) is (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone?
The InChIKey is UICVMVYUMOCVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-9-21-10-8-16(18-21)17(22)20-13-11-19(12-14-20)15-6-4-3-5-7-15/h3-8,10H,2,9,11-14H2,1H3.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone?
(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 35325179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).