1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one

C15H22N4O2 — CID 136567071

IUPAC1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(C(=O)N2CCC(=O)N3CCCC32)n(C)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)11-9-12(17(3)16-11)15(21)19-8-6-14(20)18-7-4-5-13(18)19/h9-10,13H,4-8H2,1-3H3
InChIKeyDYIUCOZCMHCXOV-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.34
Rot. Bonds2

About 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one

1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 136567071) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
PubChem CID136567071
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(C(=O)N2CCC(=O)N3CCCC32)n(C)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)11-9-12(17(3)16-11)15(21)19-8-6-14(20)18-7-4-5-13(18)19/h9-10,13H,4-8H2,1-3H3
InChIKeyDYIUCOZCMHCXOV-UHFFFAOYSA-N
XLogP1.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746450
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
3-Cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 47064401
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49791055
N~2~-[2-(dimethylamino)ethyl]-N~5~-[(1R)-1,2-dimethylpropyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxamide
CID 50983087
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 51083920
4-ethyl-5-({1-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56861440
1-{1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-azetidinyl}-2-methylpiperidine
CID 70719918
1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinecarbonitrile
CID 70735455
N,N-diethyl-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinamine
CID 70762442
[(4S,4aS,7aS)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97421635
5,6-Dimethyl-N6-(3-methylbutyl)-4-oxo-N2-[3-(pyrrolidin-1-YL)propyl]-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 46278861

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one (CID 136567071) is 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one is CC(C)c1cc(C(=O)N2CCC(=O)N3CCCC32)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is DYIUCOZCMHCXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)11-9-12(17(3)16-11)15(21)19-8-6-14(20)18-7-4-5-13(18)19/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136567071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).