(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone

C20H26N4O3 — CID 70715600

IUPAC(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)n(C)n1
InChIInChI=1S/C20H26N4O3/c1-4-5-16-14-18(22(2)21-16)20(26)24-12-10-23(11-13-24)19(25)15-6-8-17(27-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyQJOLCSFHQXFASX-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.98
Rot. Bonds5

About (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 70715600) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID70715600
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)n(C)n1
InChIInChI=1S/C20H26N4O3/c1-4-5-16-14-18(22(2)21-16)20(26)24-12-10-23(11-13-24)19(25)15-6-8-17(27-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyQJOLCSFHQXFASX-UHFFFAOYSA-N
XLogP1.98
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
2-[[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 70758341
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(1-methyl-3-propylpyrazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70706570
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
(2,5-dimethylpyrazol-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56816524

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone (CID 70715600) is (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone is CCCc1cc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)n(C)n1.
What is the InChIKey of (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is QJOLCSFHQXFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-16-14-18(22(2)21-16)20(26)24-12-10-23(11-13-24)19(25)15-6-8-17(27-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70715600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).