2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one

C17H18N4O — CID 137295941

IUPAC2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCc1cccc(C(C)n2ccc(-c3cc(=O)[nH]c(C)n3)n2)c1
InChIInChI=1S/C17H18N4O/c1-11-5-4-6-14(9-11)12(2)21-8-7-15(20-21)16-10-17(22)19-13(3)18-16/h4-10,12H,1-3H3,(H,18,19,22)
InChIKeyYTSZVEJWZWEGDD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 137295941) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID137295941
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCc1cccc(C(C)n2ccc(-c3cc(=O)[nH]c(C)n3)n2)c1
InChIInChI=1S/C17H18N4O/c1-11-5-4-6-14(9-11)12(2)21-8-7-15(20-21)16-10-17(22)19-13(3)18-16/h4-10,12H,1-3H3,(H,18,19,22)
InChIKeyYTSZVEJWZWEGDD-UHFFFAOYSA-N
XLogP2.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[1-[1-(4-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one
CID 137026529
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136822759
2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one
CID 136769621
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233
2-methyl-4-[1-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-4-yl]-1H-pyrimidin-6-one
CID 137310110
2-methyl-4-(3-phenylbutylamino)-1H-pyrimidin-6-one
CID 136956626
2-methyl-4-[1-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-5-yl]-1H-pyrimidin-6-one
CID 137026626
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
3-[2-amino-6-[1-[1-(3-methylphenyl)ethyl]-2-oxo-4-pyridinyl]pyrimidin-4-yl]-2-methylbenzonitrile
CID 175547948
4-(1-benzothiophen-7-yl)-2-methyl-1H-pyrimidin-6-one
CID 136769657
4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974910
2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 135474929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one (CID 137295941) is 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one is Cc1cccc(C(C)n2ccc(-c3cc(=O)[nH]c(C)n3)n2)c1.
What is the InChIKey of 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is YTSZVEJWZWEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-5-4-6-14(9-11)12(2)21-8-7-15(20-21)16-10-17(22)19-13(3)18-16/h4-10,12H,1-3H3,(H,18,19,22).
What are the key properties of 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 294.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[1-(3-methylphenyl)ethyl]pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137295941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).