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

C23H20Cl2N6O — CID 58628739

IUPAC3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(N2CCNCC2)c1)c1ccn2ncc(-c3cc(Cl)cc(Cl)c3)c2n1
InChIInChI=1S/C23H20Cl2N6O/c24-16-10-15(11-17(25)12-16)20-14-27-31-7-4-21(29-22(20)31)23(32)28-18-2-1-3-19(13-18)30-8-5-26-6-9-30/h1-4,7,10-14,26H,5-6,8-9H2,(H,28,32)
InChIKeyUJJPALBFEWYEET-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.36
Rot. Bonds4

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

3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628739) has the molecular formula C23H20Cl2N6O and a molecular weight of 467.36 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628739
Molecular FormulaC23H20Cl2N6O
Molecular Weight467.36 g/mol
Exact Mass466.11
IUPAC Name3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(N2CCNCC2)c1)c1ccn2ncc(-c3cc(Cl)cc(Cl)c3)c2n1
InChIInChI=1S/C23H20Cl2N6O/c24-16-10-15(11-17(25)12-16)20-14-27-31-7-4-21(29-22(20)31)23(32)28-18-2-1-3-19(13-18)30-8-5-26-6-9-30/h1-4,7,10-14,26H,5-6,8-9H2,(H,28,32)
InChIKeyUJJPALBFEWYEET-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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Related Compounds

3-[4-(benzylamino)phenyl]-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628526
3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628472
3-(3-fluorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628646
3-(3-chlorophenyl)-N-[3-[4-(2-phenylethyl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628721
3-[4-(benzylamino)phenyl]-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628881
3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628583
3-(3-chlorophenyl)-N-[5-(methanesulfonamido)-2-piperazin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628437
3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628643
N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628849
3-(3-chlorophenyl)-N-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628383
3-[4-(cyclohexylmethylamino)phenyl]-N-[3-[4-(3-hydroxypropyl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628656
3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
CID 162329103

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628739) is 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1cccc(N2CCNCC2)c1)c1ccn2ncc(-c3cc(Cl)cc(Cl)c3)c2n1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is UJJPALBFEWYEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O/c24-16-10-15(11-17(25)12-16)20-14-27-31-7-4-21(29-22(20)31)23(32)28-18-2-1-3-19(13-18)30-8-5-26-6-9-30/h1-4,7,10-14,26H,5-6,8-9H2,(H,28,32).
What are the key properties of 3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3,5-dichlorophenyl)-N-(3-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-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).