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

C22H27N5O2 — CID 135885892

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(C(C)C)cc3)c2C)n1
InChIInChI=1S/C22H27N5O2/c1-13(2)17-6-8-18(9-7-17)24-20(28)11-10-19-15(4)26-27(16(19)5)22-23-14(3)12-21(29)25-22/h6-9,12-13H,10-11H2,1-5H3,(H,24,28)(H,23,25,29)
InChIKeyNTZZWZLCLDNWRD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.58
Rot. Bonds6

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

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 135885892) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID135885892
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(C(C)C)cc3)c2C)n1
InChIInChI=1S/C22H27N5O2/c1-13(2)17-6-8-18(9-7-17)24-20(28)11-10-19-15(4)26-27(16(19)5)22-23-14(3)12-21(29)25-22/h6-9,12-13H,10-11H2,1-5H3,(H,24,28)(H,23,25,29)
InChIKeyNTZZWZLCLDNWRD-UHFFFAOYSA-N
XLogP3.58
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 135885896
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 135885938
2-[3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoylamino]benzamide
CID 135885950
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 135885940
3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 74532285
2-[4-[4-(2-fluorophenyl)-3-oxobutyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 161279997
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 30865543
2-[3,5-dimethyl-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135885880
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685607
3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 135892844
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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide (CID 135885892) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(C(C)C)cc3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is NTZZWZLCLDNWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-13(2)17-6-8-18(9-7-17)24-20(28)11-10-19-15(4)26-27(16(19)5)22-23-14(3)12-21(29)25-22/h6-9,12-13H,10-11H2,1-5H3,(H,24,28)(H,23,25,29).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 393.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 135885892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).