7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

C20H19Cl2N7 — CID 135843748

IUPAC7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3c(C)nn(C)c3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C20H19Cl2N7/c1-10-16(19-25-17-11(2)26-28(4)20(17)27(19)3)18(29-15(24-10)7-8-23-29)12-5-6-13(21)14(22)9-12/h5-9,18,24H,1-4H3
InChIKeyAKVAUHSHHXOQQK-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.56
Rot. Bonds2

About 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843748) has the molecular formula C20H19Cl2N7 and a molecular weight of 428.33 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843748
Molecular FormulaC20H19Cl2N7
Molecular Weight428.33 g/mol
Exact Mass427.11
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3c(C)nn(C)c3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C20H19Cl2N7/c1-10-16(19-25-17-11(2)26-28(4)20(17)27(19)3)18(29-15(24-10)7-8-23-29)12-5-6-13(21)14(22)9-12/h5-9,18,24H,1-4H3
InChIKeyAKVAUHSHHXOQQK-UHFFFAOYSA-N
XLogP4.56
TPSA65.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3804160
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168272821
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4886402
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 56945132
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843672
7-(3,4-Dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843728
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843751
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843801
7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843887
6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843988
6-(5-Chloro-1-ethylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843992
6-(5-Chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843993

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843748) is 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(c2nc3c(C)nn(C)c3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is AKVAUHSHHXOQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7/c1-10-16(19-25-17-11(2)26-28(4)20(17)27(19)3)18(29-15(24-10)7-8-23-29)12-5-6-13(21)14(22)9-12/h5-9,18,24H,1-4H3.
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 428.33 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).