[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone

C22H22N4O2 — CID 166374697

IUPAC[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c1-24-20(16-19(23-24)17-8-4-2-5-9-17)22(28)26-14-12-25(13-15-26)21(27)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyZHOIZVKSUKWRHV-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.69
Rot. Bonds3

About [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 166374697) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID166374697
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c1-24-20(16-19(23-24)17-8-4-2-5-9-17)22(28)26-14-12-25(13-15-26)21(27)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyZHOIZVKSUKWRHV-UHFFFAOYSA-N
XLogP2.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 67361007
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
2-(4-fluorophenyl)-3-[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]propanal
CID 174599464
(1-methyl-3-phenylpyrazol-5-yl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344425
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122338214
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 164688171
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493177
(1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347352
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 71799449
3-tert-butyl-8-(1-methyl-3-phenylpyrazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
CID 155942513
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42758562
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone (CID 166374697) is [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is ZHOIZVKSUKWRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-24-20(16-19(23-24)17-8-4-2-5-9-17)22(28)26-14-12-25(13-15-26)21(27)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3.
What are the key properties of [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 374.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 166374697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).