2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide

C18H21ClN4O3 — CID 53050996

IUPAC2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)CCn2nc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C18H21ClN4O3/c1-26-10-2-8-20-16(24)12-22-17-11-15(13-3-5-14(19)6-4-13)21-23(17)9-7-18(22)25/h3-6,11H,2,7-10,12H2,1H3,(H,20,24)
InChIKeyQDJKWUUTCBSUJD-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.09
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide

2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 53050996) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide
PubChem CID53050996
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)CCn2nc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C18H21ClN4O3/c1-26-10-2-8-20-16(24)12-22-17-11-15(13-3-5-14(19)6-4-13)21-23(17)9-7-18(22)25/h3-6,11H,2,7-10,12H2,1H3,(H,20,24)
InChIKeyQDJKWUUTCBSUJD-UHFFFAOYSA-N
XLogP2.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-propylbenzamide
CID 53049940
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53050966
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 53049943
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 53050936
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
CID 53023365
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53003719
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 53050944
2-[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(1-phenylethyl)acetamide
CID 53050981
4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3-propylsulfanylpropyl)benzamide
CID 53023144
2-(4-chlorophenyl)-4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 53003708
N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
CID 53049892
N-[(4-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920139

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide (CID 53050996) is 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1C(=O)CCn2nc(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is QDJKWUUTCBSUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-26-10-2-8-20-16(24)12-22-17-11-15(13-3-5-14(19)6-4-13)21-23(17)9-7-18(22)25/h3-6,11H,2,7-10,12H2,1H3,(H,20,24).
What are the key properties of 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide?
2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 376.84 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 53050996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).