7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

C21H17Cl2N5 — CID 135843728

IUPAC7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3ccccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H17Cl2N5/c1-12-19(21-26-16-5-3-4-6-17(16)27(21)2)20(28-18(25-12)9-10-24-28)13-7-8-14(22)15(23)11-13/h3-11,20,25H,1-2H3
InChIKeyWKMMAERHZAQFCS-UHFFFAOYSA-N
MW410.31 g/mol
LogP5.52
Rot. Bonds2

About 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843728) has the molecular formula C21H17Cl2N5 and a molecular weight of 410.31 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843728
Molecular FormulaC21H17Cl2N5
Molecular Weight410.31 g/mol
Exact Mass409.09
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3ccccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H17Cl2N5/c1-12-19(21-26-16-5-3-4-6-17(16)27(21)2)20(28-18(25-12)9-10-24-28)13-7-8-14(22)15(23)11-13/h3-11,20,25H,1-2H3
InChIKeyWKMMAERHZAQFCS-UHFFFAOYSA-N
XLogP5.52
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
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
(R)-3-(6-(1-(4-chlorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158549
8-Chloro-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317313
9-Chloro-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53323880
7-Chloro-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53326461
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
(4R)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine
CID 132167081
6-[(4S,5R)-4-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]-1-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
CID 134324770

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843728) is 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(c2nc3ccccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is WKMMAERHZAQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5/c1-12-19(21-26-16-5-3-4-6-17(16)27(21)2)20(28-18(25-12)9-10-24-28)13-7-8-14(22)15(23)11-13/h3-11,20,25H,1-2H3.
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 410.31 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).