3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C23H20Cl2N6O — CID 58628583

IUPAC3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(Cl)c(Cl)c3)c2n1
InChIInChI=1S/C23H20Cl2N6O/c24-17-6-5-15(13-18(17)25)16-14-27-31-10-7-20(28-22(16)31)23(32)29-19-3-1-2-4-21(19)30-11-8-26-9-12-30/h1-7,10,13-14,26H,8-9,11-12H2,(H,29,32)
InChIKeyICZITCLCGTWDQJ-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.36
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628583) has the molecular formula C23H20Cl2N6O and a molecular weight of 467.36 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628583
Molecular FormulaC23H20Cl2N6O
Molecular Weight467.36 g/mol
Exact Mass466.11
IUPAC Name3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(Cl)c(Cl)c3)c2n1
InChIInChI=1S/C23H20Cl2N6O/c24-17-6-5-15(13-18(17)25)16-14-27-31-10-7-20(28-22(16)31)23(32)29-19-3-1-2-4-21(19)30-11-8-26-9-12-30/h1-7,10,13-14,26H,8-9,11-12H2,(H,29,32)
InChIKeyICZITCLCGTWDQJ-UHFFFAOYSA-N
XLogP4.36
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628583) is 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(Cl)c(Cl)c3)c2n1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is ICZITCLCGTWDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O/c24-17-6-5-15(13-18(17)25)16-14-27-31-10-7-20(28-22(16)31)23(32)29-19-3-1-2-4-21(19)30-11-8-26-9-12-30/h1-7,10,13-14,26H,8-9,11-12H2,(H,29,32).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 467.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).