3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile

C24H23ClN8O — CID 162378328

IUPAC3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile
SMILESCC(C)n1ncc(Cl)c1-c1cc2n(n1)CCC(=O)N2Cc1ccc(-c2nn(C)cc2C#N)cc1
InChIInChI=1S/C24H23ClN8O/c1-15(2)33-24(19(25)12-27-33)20-10-21-31(22(34)8-9-32(21)28-20)13-16-4-6-17(7-5-16)23-18(11-26)14-30(3)29-23/h4-7,10,12,14-15H,8-9,13H2,1-3H3
InChIKeyZJPCOUXLPJVVFG-UHFFFAOYSA-N
MW474.96 g/mol
LogP4.19
Rot. Bonds5

About 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile

3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile (PubChem CID 162378328) has the molecular formula C24H23ClN8O and a molecular weight of 474.96 g/mol. Its IUPAC name is 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile
PubChem CID162378328
Molecular FormulaC24H23ClN8O
Molecular Weight474.96 g/mol
Exact Mass474.17
IUPAC Name3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile
SMILESCC(C)n1ncc(Cl)c1-c1cc2n(n1)CCC(=O)N2Cc1ccc(-c2nn(C)cc2C#N)cc1
InChIInChI=1S/C24H23ClN8O/c1-15(2)33-24(19(25)12-27-33)20-10-21-31(22(34)8-9-32(21)28-20)13-16-4-6-17(7-5-16)23-18(11-26)14-30(3)29-23/h4-7,10,12,14-15H,8-9,13H2,1-3H3
InChIKeyZJPCOUXLPJVVFG-UHFFFAOYSA-N
XLogP4.19
TPSA97.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile with MolForge

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Related Compounds

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378735
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378373
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378231
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6-hydroxy-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378850
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[3-(2,2-difluoroethoxy)-2-pyridinyl]phenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378830
4-[[2-(2-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzoic acid
CID 53213062
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 53049943
2-(4-chlorophenyl)-4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 53003708
4-[[3-chloro-4-(3-propan-2-yloxy-2-pyridinyl)phenyl]methyl]-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378102
3-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carbonitrile
CID 168841681
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-propylbenzamide
CID 53049940
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile (CID 162378328) is 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile is CC(C)n1ncc(Cl)c1-c1cc2n(n1)CCC(=O)N2Cc1ccc(-c2nn(C)cc2C#N)cc1.
What is the InChIKey of 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile?
The InChIKey is ZJPCOUXLPJVVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O/c1-15(2)33-24(19(25)12-27-33)20-10-21-31(22(34)8-9-32(21)28-20)13-16-4-6-17(7-5-16)23-18(11-26)14-30(3)29-23/h4-7,10,12,14-15H,8-9,13H2,1-3H3.
What are the key properties of 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile?
3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile has a molecular weight of 474.96 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 162378328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).