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

C17H25N5O2 — CID 135885916

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCC(C)C)c2C)n1
InChIInChI=1S/C17H25N5O2/c1-10(2)9-18-15(23)7-6-14-12(4)21-22(13(14)5)17-19-11(3)8-16(24)20-17/h8,10H,6-7,9H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeySYVZIDIQTUUUGM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.59
Rot. Bonds6

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

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide (PubChem CID 135885916) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
PubChem CID135885916
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCC(C)C)c2C)n1
InChIInChI=1S/C17H25N5O2/c1-10(2)9-18-15(23)7-6-14-12(4)21-22(13(14)5)17-19-11(3)8-16(24)20-17/h8,10H,6-7,9H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeySYVZIDIQTUUUGM-UHFFFAOYSA-N
XLogP1.59
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-4-(3-oxo-3-(pyrrolidin-1-yl)propyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 136253211
2-[3,5-dimethyl-4-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136253209
2-(3,5-dimethyl-4-(3-(2-methylpiperidin-1-yl)-3-oxopropyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 136253210
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 137049041
2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049227
N-cyclopentyl-3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 137095027
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]propanoic acid
CID 135876318
methyl 3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)propanoate
CID 135876322
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(4-fluorobenzyl)propanamide
CID 135885885
3-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)propanamide
CID 135892780
4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one
CID 162658680
methyl 1-(3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)propanoyl)piperidine-4-carboxylate
CID 135885877

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-(2-methylpropyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide (CID 135885916) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCC(C)C)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is SYVZIDIQTUUUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(2)9-18-15(23)7-6-14-12(4)21-22(13(14)5)17-19-11(3)8-16(24)20-17/h8,10H,6-7,9H2,1-5H3,(H,18,23)(H,19,20,24).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.59, 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 135885916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).