4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C21H27N5O2 — CID 20920119

IUPAC4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2ccc(CN3C(=O)CCn4nc(C)cc43)cc2)CC1
InChIInChI=1S/C21H27N5O2/c1-3-23-10-12-24(13-11-23)21(28)18-6-4-17(5-7-18)15-25-19-14-16(2)22-26(19)9-8-20(25)27/h4-7,14H,3,8-13,15H2,1-2H3
InChIKeyHFFRDXIDLDEOKJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.91
Rot. Bonds4

About 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 20920119) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID20920119
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2ccc(CN3C(=O)CCn4nc(C)cc43)cc2)CC1
InChIInChI=1S/C21H27N5O2/c1-3-23-10-12-24(13-11-23)21(28)18-6-4-17(5-7-18)15-25-19-14-16(2)22-26(19)9-8-20(25)27/h4-7,14H,3,8-13,15H2,1-2H3
InChIKeyHFFRDXIDLDEOKJ-UHFFFAOYSA-N
XLogP1.91
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920100
4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920117
4-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920120
2-(4-chlorophenyl)-4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 53003708
2-(4-methoxyphenyl)-4-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 53049920
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
N-[(4-ethylphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928903
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid
CID 20885436
ethyl 1-[4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 20920046
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111105286

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 20920119) is 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is CCN1CCN(C(=O)c2ccc(CN3C(=O)CCn4nc(C)cc43)cc2)CC1.
What is the InChIKey of 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is HFFRDXIDLDEOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-23-10-12-24(13-11-23)21(28)18-6-4-17(5-7-18)15-25-19-14-16(2)22-26(19)9-8-20(25)27/h4-7,14H,3,8-13,15H2,1-2H3.
What are the key properties of 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 381.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 20920119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).