N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

C19H24N4O3 — CID 46282402

IUPACN-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)N1CCCn2nc(C)cc21
InChIInChI=1S/C19H24N4O3/c1-14-12-18-22(10-5-11-23(18)21-14)19(25)9-8-17(24)20-13-15-6-3-4-7-16(15)26-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,20,24)
InChIKeyIMIVWTYVYKEITA-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.03
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 46282402) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
PubChem CID46282402
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)N1CCCn2nc(C)cc21
InChIInChI=1S/C19H24N4O3/c1-14-12-18-22(10-5-11-23(18)21-14)19(25)9-8-17(24)20-13-15-6-3-4-7-16(15)26-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,20,24)
InChIKeyIMIVWTYVYKEITA-UHFFFAOYSA-N
XLogP2.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
N-[5-(4-Methoxy-phenyl)-2H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 25029711
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173801
3-Methyl-6-(2-propoxy-phenyl)-1-(2,2,2-trifluoro-ethyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419318
6-(5-Dimethylamino-2-propoxy-phenyl)-1-ethyl-3-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135462289
1-Benzyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135462319
1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-ethyl-urea
CID 135493551
N-[3-(1-Ethyl-3-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135497265
1,3-Dimethyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135529725
6-(2-Isopropoxy-phenyl)-1,3-dimethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135536718
6-(5-Amino-2-propoxy-phenyl)-1-ethyl-3-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135536759

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (CID 46282402) is N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is COc1ccccc1CNC(=O)CCC(=O)N1CCCn2nc(C)cc21.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is IMIVWTYVYKEITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-12-18-22(10-5-11-23(18)21-14)19(25)9-8-17(24)20-13-15-6-3-4-7-16(15)26-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,20,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 356.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 46282402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).