4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine

C19H22N6O — CID 46992065

IUPAC4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCOc1ccccc1-n1cc(-c2ccnc(N3CCN(C)CC3)n2)cn1
InChIInChI=1S/C19H22N6O/c1-23-9-11-24(12-10-23)19-20-8-7-16(22-19)15-13-21-25(14-15)17-5-3-4-6-18(17)26-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyHBRNUFRCEQWGFV-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.09
Rot. Bonds4

About 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine

4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 46992065) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID46992065
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCOc1ccccc1-n1cc(-c2ccnc(N3CCN(C)CC3)n2)cn1
InChIInChI=1S/C19H22N6O/c1-23-9-11-24(12-10-23)19-20-8-7-16(22-19)15-13-21-25(14-15)17-5-3-4-6-18(17)26-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyHBRNUFRCEQWGFV-UHFFFAOYSA-N
XLogP2.09
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
CID 44614492
2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517360
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 171517278
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
2-[1-(2-methoxyphenyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
CID 59784478
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499065
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine (CID 46992065) is 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is COc1ccccc1-n1cc(-c2ccnc(N3CCN(C)CC3)n2)cn1.
What is the InChIKey of 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is HBRNUFRCEQWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23-9-11-24(12-10-23)19-20-8-7-16(22-19)15-13-21-25(14-15)17-5-3-4-6-18(17)26-2/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine?
4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 350.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 46992065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).