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

C26H28N6O — CID 58628849

IUPACN-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(-c2cnn3ccc(C(=O)Nc4ccccc4N4CCNCC4)nc23)cc1
InChIInChI=1S/C26H28N6O/c1-18(2)19-7-9-20(10-8-19)21-17-28-32-14-11-23(29-25(21)32)26(33)30-22-5-3-4-6-24(22)31-15-12-27-13-16-31/h3-11,14,17-18,27H,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyJHIHWFLJGHETST-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.18
Rot. Bonds5

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

N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628849) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628849
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC NameN-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(-c2cnn3ccc(C(=O)Nc4ccccc4N4CCNCC4)nc23)cc1
InChIInChI=1S/C26H28N6O/c1-18(2)19-7-9-20(10-8-19)21-17-28-32-14-11-23(29-25(21)32)26(33)30-22-5-3-4-6-24(22)31-15-12-27-13-16-31/h3-11,14,17-18,27H,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyJHIHWFLJGHETST-UHFFFAOYSA-N
XLogP4.18
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628583
3-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628524
3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628836
3-(3-chlorophenyl)-N-[5-(methanesulfonamido)-2-piperazin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628437
N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 70921256
3-[4-(benzylamino)phenyl]-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628881
3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628739
3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628888
3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628472
3-(3-chlorophenyl)-N-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628701
3-[4-(benzylamino)phenyl]-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628526
3-(3-chlorophenyl)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628849) is N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1ccc(-c2cnn3ccc(C(=O)Nc4ccccc4N4CCNCC4)nc23)cc1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is JHIHWFLJGHETST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18(2)19-7-9-20(10-8-19)21-17-28-32-14-11-23(29-25(21)32)26(33)30-22-5-3-4-6-24(22)31-15-12-27-13-16-31/h3-11,14,17-18,27H,12-13,15-16H2,1-2H3,(H,30,33).
What are the key properties of N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).