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

C14H19N5O2 — CID 135752892

IUPAC2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)(C)C)n1
InChIInChI=1S/C14H19N5O2/c1-8-7-11(20)17-13(15-8)19-10(6-9(2)18-19)16-12(21)14(3,4)5/h6-7H,1-5H3,(H,16,21)(H,15,17,20)
InChIKeyCZUMLIVERKVWRI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.56
Rot. Bonds2

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

2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide (PubChem CID 135752892) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
PubChem CID135752892
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)(C)C)n1
InChIInChI=1S/C14H19N5O2/c1-8-7-11(20)17-13(15-8)19-10(6-9(2)18-19)16-12(21)14(3,4)5/h6-7H,1-5H3,(H,16,21)(H,15,17,20)
InChIKeyCZUMLIVERKVWRI-UHFFFAOYSA-N
XLogP1.56
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
2-[5-(2-methoxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162669511
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
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-[1-(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-methyl-5-pyrazolyl]cyclopropanecarboxamide
CID 135753036

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide (CID 135752892) is 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The InChIKey is CZUMLIVERKVWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8-7-11(20)17-13(15-8)19-10(6-9(2)18-19)16-12(21)14(3,4)5/h6-7H,1-5H3,(H,16,21)(H,15,17,20).
What are the key properties of 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 135752892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).