[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone

C18H24N4O2 — CID 35325173

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-3-9-22-10-8-17(19-22)18(23)21-13-11-20(12-14-21)15-4-6-16(24-2)7-5-15/h4-8,10H,3,9,11-14H2,1-2H3
InChIKeyDSRFZUFPJTXBQB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.26
Rot. Bonds5

About [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone (PubChem CID 35325173) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
PubChem CID35325173
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-3-9-22-10-8-17(19-22)18(23)21-13-11-20(12-14-21)15-4-6-16(24-2)7-5-15/h4-8,10H,3,9,11-14H2,1-2H3
InChIKeyDSRFZUFPJTXBQB-UHFFFAOYSA-N
XLogP2.26
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126826218
N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109094649
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 110109389
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318950
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110693625

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone (CID 35325173) is [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The InChIKey is DSRFZUFPJTXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-9-22-10-8-17(19-22)18(23)21-13-11-20(12-14-21)15-4-6-16(24-2)7-5-15/h4-8,10H,3,9,11-14H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 35325173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).