[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C18H22N4O3 — CID 70768505

IUPAC[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(C)nn3C)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(20(2)19-13)18(24)22-10-8-21(9-11-22)17(23)14-4-6-15(25-3)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyGZAHOGGNCNRLHX-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.34
Rot. Bonds3

About [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 70768505) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID70768505
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(C)nn3C)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(20(2)19-13)18(24)22-10-8-21(9-11-22)17(23)14-4-6-15(25-3)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyGZAHOGGNCNRLHX-UHFFFAOYSA-N
XLogP1.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[4-(1-methyl-3-propylpyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 70715600
(2,5-dimethylpyrazol-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56816524
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 66128825
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 70768505) is [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cc(C)nn3C)CC2)cc1.
What is the InChIKey of [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GZAHOGGNCNRLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-12-16(20(2)19-13)18(24)22-10-8-21(9-11-22)17(23)14-4-6-15(25-3)7-5-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 70768505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).