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

C25H24N6O — CID 58628836

IUPAC3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(/C=C/c3ccccc3)c2n1
InChIInChI=1S/C25H24N6O/c32-25(29-21-8-4-5-9-23(21)30-16-13-26-14-17-30)22-12-15-31-24(28-22)20(18-27-31)11-10-19-6-2-1-3-7-19/h1-12,15,18,26H,13-14,16-17H2,(H,29,32)/b11-10+
InChIKeyWNMXPZHPOMCURT-ZHACJKMWSA-N
MW424.51 g/mol
LogP3.56
Rot. Bonds5

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

3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628836) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628836
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(/C=C/c3ccccc3)c2n1
InChIInChI=1S/C25H24N6O/c32-25(29-21-8-4-5-9-23(21)30-16-13-26-14-17-30)22-12-15-31-24(28-22)20(18-27-31)11-10-19-6-2-1-3-7-19/h1-12,15,18,26H,13-14,16-17H2,(H,29,32)/b11-10+
InChIKeyWNMXPZHPOMCURT-ZHACJKMWSA-N
XLogP3.56
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.56
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
N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628849
3-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628524
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
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
2-(benzylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967756
3-[4-(benzylamino)phenyl]-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628881
3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628472
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710
3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628739
3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628755

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628836) is 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(/C=C/c3ccccc3)c2n1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WNMXPZHPOMCURT-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H24N6O/c32-25(29-21-8-4-5-9-23(21)30-16-13-26-14-17-30)22-12-15-31-24(28-22)20(18-27-31)11-10-19-6-2-1-3-7-19/h1-12,15,18,26H,13-14,16-17H2,(H,29,32)/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).