4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

C14H17N5O3 — CID 137049221

IUPAC4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCOCC3)c2C)n1
InChIInChI=1S/C14H17N5O3/c1-9-7-12(20)17-14(16-9)19-10(2)11(8-15-19)13(21)18-3-5-22-6-4-18/h7-8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyHZCVFDQJHIBZJO-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.04
Rot. Bonds2

About 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137049221) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137049221
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCOCC3)c2C)n1
InChIInChI=1S/C14H17N5O3/c1-9-7-12(20)17-14(16-9)19-10(2)11(8-15-19)13(21)18-3-5-22-6-4-18/h7-8H,3-6H2,1-2H3,(H,16,17,20)
InChIKeyHZCVFDQJHIBZJO-UHFFFAOYSA-N
XLogP0.04
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
N-cyclopentyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035916
N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921
N-cyclopentyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035926
2-(4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1H-py
CID 136245321
N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049038
4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049039
N-ethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049040
2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049043
4-methyl-2-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049046
2-[4-(4-Methoxypiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049062

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137049221) is 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCOCC3)c2C)n1.
What is the InChIKey of 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HZCVFDQJHIBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-7-12(20)17-14(16-9)19-10(2)11(8-15-19)13(21)18-3-5-22-6-4-18/h7-8H,3-6H2,1-2H3,(H,16,17,20).
What are the key properties of 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 303.32 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137049221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).