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

C17H25N5O — CID 169018039

IUPAC2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCCC2)n1
InChIInChI=1S/C17H25N5O/c1-3-14-10-16(23)20-17(19-14)22-15(9-12(2)21-22)18-11-13-7-5-4-6-8-13/h9-10,13,18H,3-8,11H2,1-2H3,(H,19,20,23)
InChIKeyJEVPDCLYQINPOZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.82
Rot. Bonds5

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

2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 169018039) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID169018039
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCCC2)n1
InChIInChI=1S/C17H25N5O/c1-3-14-10-16(23)20-17(19-14)22-15(9-12(2)21-22)18-11-13-7-5-4-6-8-13/h9-10,13,18H,3-8,11H2,1-2H3,(H,19,20,23)
InChIKeyJEVPDCLYQINPOZ-UHFFFAOYSA-N
XLogP2.82
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71683080
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
CID 135551798
2-cyclohexyl-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551800
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-isopropylpyrimidin-4(3H)-one
CID 135984534
US10118930, Example 24
CID 137018454
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984533
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
2-[5-(benzylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 156229876

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (CID 169018039) is 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCCC2)n1.
What is the InChIKey of 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is JEVPDCLYQINPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-14-10-16(23)20-17(19-14)22-15(9-12(2)21-22)18-11-13-7-5-4-6-8-13/h9-10,13,18H,3-8,11H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 315.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 169018039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).