2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H23N5O2 — CID 95851117

IUPAC2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCn1cc(-c2cc(=O)n3[nH]c(COC)c(-c4ccc(C)cc4)c3n2)cn1
InChIInChI=1S/C21H23N5O2/c1-4-9-25-12-16(11-22-25)17-10-19(27)26-21(23-17)20(18(24-26)13-28-3)15-7-5-14(2)6-8-15/h5-8,10-12,24H,4,9,13H2,1-3H3
InChIKeyISOHUUDSWMPPQP-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.42
Rot. Bonds6

About 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 95851117) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID95851117
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCn1cc(-c2cc(=O)n3[nH]c(COC)c(-c4ccc(C)cc4)c3n2)cn1
InChIInChI=1S/C21H23N5O2/c1-4-9-25-12-16(11-22-25)17-10-19(27)26-21(23-17)20(18(24-26)13-28-3)15-7-5-14(2)6-8-15/h5-8,10-12,24H,4,9,13H2,1-3H3
InChIKeyISOHUUDSWMPPQP-UHFFFAOYSA-N
XLogP3.42
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-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

5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98132995
2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133043
5-[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139087
2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973795
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
3-(4-chlorophenyl)-2-(methoxymethyl)-5-[(3S)-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 31160716
2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92588424
2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973825
3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140473
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168369
N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide
CID 171140413
5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973873

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 95851117) is 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCn1cc(-c2cc(=O)n3[nH]c(COC)c(-c4ccc(C)cc4)c3n2)cn1.
What is the InChIKey of 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ISOHUUDSWMPPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-4-9-25-12-16(11-22-25)17-10-19(27)26-21(23-17)20(18(24-26)13-28-3)15-7-5-14(2)6-8-15/h5-8,10-12,24H,4,9,13H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 377.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 95851117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).