4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one

C18H21N5O2 — CID 169018018

IUPAC4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H21N5O2/c1-4-14-10-17(24)21-18(20-14)23-16(9-12(2)22-23)19-11-13-5-7-15(25-3)8-6-13/h5-10,19H,4,11H2,1-3H3,(H,20,21,24)
InChIKeyJYDQBOGQJPTHMU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.45
Rot. Bonds6

About 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one

4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 169018018) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID169018018
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H21N5O2/c1-4-14-10-17(24)21-18(20-14)23-16(9-12(2)22-23)19-11-13-5-7-15(25-3)8-6-13/h5-10,19H,4,11H2,1-3H3,(H,20,21,24)
InChIKeyJYDQBOGQJPTHMU-UHFFFAOYSA-N
XLogP2.45
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[5-(4-Methoxy-phenyl)-2H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 25029711
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-p-tolyloxy-phenyl)-urea
CID 44286077
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523356
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 57878392
4-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 59173799
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
N-(3-methoxyphenethyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081197
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(p-tolyloxy)acetamide
CID 135752958
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 16026463
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one (CID 169018018) is 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2ccc(OC)cc2)n1.
What is the InChIKey of 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JYDQBOGQJPTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-14-10-17(24)21-18(20-14)23-16(9-12(2)22-23)19-11-13-5-7-15(25-3)8-6-13/h5-10,19H,4,11H2,1-3H3,(H,20,21,24).
What are the key properties of 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 339.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[5-[(4-methoxyphenyl)methylamino]-3-methylpyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169018018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).