(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide

C19H24N4O2 — CID 92706869

IUPAC(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide
SMILESCC[C@@H](C(=O)NCc1ccccc1C)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H24N4O2/c1-4-16(19(25)20-12-15-8-6-5-7-13(15)2)23-17-11-14(3)21-22(17)10-9-18(23)24/h5-8,11,16H,4,9-10,12H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyROKOENJQAFCTCD-INIZCTEOSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds5

About (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide

(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 92706869) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide
PubChem CID92706869
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide
SMILESCC[C@@H](C(=O)NCc1ccccc1C)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H24N4O2/c1-4-16(19(25)20-12-15-8-6-5-7-13(15)2)23-17-11-14(3)21-22(17)10-9-18(23)24/h5-8,11,16H,4,9-10,12H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyROKOENJQAFCTCD-INIZCTEOSA-N
XLogP2.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide (CID 92706869) is (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide is CC[C@@H](C(=O)NCc1ccccc1C)N1C(=O)CCn2nc(C)cc21.
What is the InChIKey of (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is ROKOENJQAFCTCD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-16(19(25)20-12-15-8-6-5-7-13(15)2)23-17-11-14(3)21-22(17)10-9-18(23)24/h5-8,11,16H,4,9-10,12H2,1-3H3,(H,20,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide?
(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 340.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 92706869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).