3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide

C23H27N5O2 — CID 74532285

IUPAC3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESC=C1C(=O)N=C(n2nc(C)c(CCC(=O)Nc3ccc(C(C)C)cc3)c2C)N=C1C
InChIInChI=1S/C23H27N5O2/c1-13(2)18-7-9-19(10-8-18)25-21(29)12-11-20-16(5)27-28(17(20)6)23-24-15(4)14(3)22(30)26-23/h7-10,13H,3,11-12H2,1-2,4-6H3,(H,25,29)
InChIKeyIXLULCCIMYHRMM-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.96
Rot. Bonds5

About 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide

3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 74532285) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID74532285
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESC=C1C(=O)N=C(n2nc(C)c(CCC(=O)Nc3ccc(C(C)C)cc3)c2C)N=C1C
InChIInChI=1S/C23H27N5O2/c1-13(2)18-7-9-19(10-8-18)25-21(29)12-11-20-16(5)27-28(17(20)6)23-24-15(4)14(3)22(30)26-23/h7-10,13H,3,11-12H2,1-2,4-6H3,(H,25,29)
InChIKeyIXLULCCIMYHRMM-UHFFFAOYSA-N
XLogP3.96
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 135885892
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685607
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 20961231
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 9398948
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 30865543
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9399075
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 20946907
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9329096
N-(4-methylphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863583
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide (CID 74532285) is 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide is C=C1C(=O)N=C(n2nc(C)c(CCC(=O)Nc3ccc(C(C)C)cc3)c2C)N=C1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IXLULCCIMYHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-13(2)18-7-9-19(10-8-18)25-21(29)12-11-20-16(5)27-28(17(20)6)23-24-15(4)14(3)22(30)26-23/h7-10,13H,3,11-12H2,1-2,4-6H3,(H,25,29).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 74532285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).