[1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone

C20H22N6O — CID 67361007

IUPAC[1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)nn2C)CC1
InChIInChI=1S/C20H22N6O/c1-24-8-10-26(11-9-24)20(27)18-12-17(23-25(18)2)16-13-21-19(22-14-16)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeySVRWTJCXWQADCV-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.93
Rot. Bonds3

About [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone

[1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 67361007) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID67361007
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)nn2C)CC1
InChIInChI=1S/C20H22N6O/c1-24-8-10-26(11-9-24)20(27)18-12-17(23-25(18)2)16-13-21-19(22-14-16)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeySVRWTJCXWQADCV-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
(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
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
(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
2-(4-fluorophenyl)-3-[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]propanal
CID 174599464
(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
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493280
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257218

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 67361007) is [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)nn2C)CC1.
What is the InChIKey of [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SVRWTJCXWQADCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24-8-10-26(11-9-24)20(27)18-12-17(23-25(18)2)16-13-21-19(22-14-16)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
[1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 362.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2-phenylpyrimidin-5-yl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 67361007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).