(4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone

C19H20N6O2 — CID 59252419

IUPAC(4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone
SMILESCN1CCN(C(=O)c2cc(-c3cnc(Oc4ccccc4)nc3)n[nH]2)CC1
InChIInChI=1S/C19H20N6O2/c1-24-7-9-25(10-8-24)18(26)17-11-16(22-23-17)14-12-20-19(21-13-14)27-15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,22,23)
InChIKeyDKDSOWYLEARIDC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.05
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone

(4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 59252419) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone
PubChem CID59252419
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone
SMILESCN1CCN(C(=O)c2cc(-c3cnc(Oc4ccccc4)nc3)n[nH]2)CC1
InChIInChI=1S/C19H20N6O2/c1-24-7-9-25(10-8-24)18(26)17-11-16(22-23-17)14-12-20-19(21-13-14)27-15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,22,23)
InChIKeyDKDSOWYLEARIDC-UHFFFAOYSA-N
XLogP2.05
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 135394452
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1H-pyrazol-5-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
CID 155674842
N-(4-(Chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)-6-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)nicotinamide
CID 118044927
6-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118198889
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118198929
N-{1-({2-[(4-methoxyphenyl)methylene]hydrazino}carbonyl)-2-[(4-methyl-2-pyrimidinyl)amino]vinyl}benzenecarboxamide
CID 9582023

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone (CID 59252419) is (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone is CN1CCN(C(=O)c2cc(-c3cnc(Oc4ccccc4)nc3)n[nH]2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is DKDSOWYLEARIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-24-7-9-25(10-8-24)18(26)17-11-16(22-23-17)14-12-20-19(21-13-14)27-15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,22,23).
What are the key properties of (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone?
(4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 59252419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).