7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H20Cl2N4O — CID 135433132

IUPAC7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NCCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C22H20Cl2N4O/c1-14-20(22(29)25-11-9-15-5-3-2-4-6-15)21(28-19(27-14)10-12-26-28)16-7-8-17(23)18(24)13-16/h2-8,10,12-13,21,27H,9,11H2,1H3,(H,25,29)
InChIKeyZHRWRCCZDJAUCZ-UHFFFAOYSA-N
MW427.34 g/mol
LogP4.84
Rot. Bonds5

About 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135433132) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135433132
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NCCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C22H20Cl2N4O/c1-14-20(22(29)25-11-9-15-5-3-2-4-6-15)21(28-19(27-14)10-12-26-28)16-7-8-17(23)18(24)13-16/h2-8,10,12-13,21,27H,9,11H2,1H3,(H,25,29)
InChIKeyZHRWRCCZDJAUCZ-UHFFFAOYSA-N
XLogP4.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135433132) is 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)NCCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZHRWRCCZDJAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c1-14-20(22(29)25-11-9-15-5-3-2-4-6-15)21(28-19(27-14)10-12-26-28)16-7-8-17(23)18(24)13-16/h2-8,10,12-13,21,27H,9,11H2,1H3,(H,25,29).
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 427.34 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135433132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).