2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H21N5O2S — CID 17168548

IUPAC2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(CSc3nccc(C)n3)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C21H21N5O2S/c1-4-17-19(14-5-7-16(28-3)8-6-14)20-24-15(11-18(27)26(20)25-17)12-29-21-22-10-9-13(2)23-21/h5-11,25H,4,12H2,1-3H3
InChIKeyCHBSNLXQLGLXIH-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.65
Rot. Bonds6

About 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 17168548) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID17168548
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(CSc3nccc(C)n3)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C21H21N5O2S/c1-4-17-19(14-5-7-16(28-3)8-6-14)20-24-15(11-18(27)26(20)25-17)12-29-21-22-10-9-13(2)23-21/h5-11,25H,4,12H2,1-3H3
InChIKeyCHBSNLXQLGLXIH-UHFFFAOYSA-N
XLogP3.65
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-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-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973795
3-(3,4-dimethoxyphenyl)-2-methyl-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973866
3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466
2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133033
2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133043
3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2810240
7-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17122078
2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92588424
5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973864
3-(4-methoxyphenyl)-2-methyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 16674607
2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92581508
3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973532

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 17168548) is 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(CSc3nccc(C)n3)nc2c1-c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CHBSNLXQLGLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-4-17-19(14-5-7-16(28-3)8-6-14)20-24-15(11-18(27)26(20)25-17)12-29-21-22-10-9-13(2)23-21/h5-11,25H,4,12H2,1-3H3.
What are the key properties of 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 407.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17168548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).