3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H26N4O2 — CID 82273394

IUPAC3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1CCCOc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-14-17(11-8-12-26-16-9-6-5-7-10-16)20(25)24-19(21-14)18(13-23(3)4)15(2)22-24/h5-7,9-10,22H,8,11-13H2,1-4H3
InChIKeyDUHIDQSNIRJXRM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.71
Rot. Bonds7

About 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273394) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273394
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1CCCOc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-14-17(11-8-12-26-16-9-6-5-7-10-16)20(25)24-19(21-14)18(13-23(3)4)15(2)22-24/h5-7,9-10,22H,8,11-13H2,1-4H3
InChIKeyDUHIDQSNIRJXRM-UHFFFAOYSA-N
XLogP2.71
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-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

2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273300
3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273400
5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273472
6-benzyl-2,5-dimethyl-3-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155184493
N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide
CID 173344142
2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168379
6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719025
6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157439431
3-(4-bromophenyl)-6-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17147858
6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17027570
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1370222

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273394) is 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1CCCOc1ccccc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DUHIDQSNIRJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-17(11-8-12-26-16-9-6-5-7-10-16)20(25)24-19(21-14)18(13-23(3)4)15(2)22-24/h5-7,9-10,22H,8,11-13H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).