N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H20N6O — CID 170089605

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C24H20N6O/c31-24(27-12-11-22-25-13-14-26-22)20-16-23-28-19(17-7-3-1-4-8-17)15-21(30(23)29-20)18-9-5-2-6-10-18/h1-10,13-16H,11-12H2,(H,25,26)(H,27,31)
InChIKeyFOAYZZNGWGHHFO-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 170089605) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID170089605
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C24H20N6O/c31-24(27-12-11-22-25-13-14-26-22)20-16-23-28-19(17-7-3-1-4-8-17)15-21(30(23)29-20)18-9-5-2-6-10-18/h1-10,13-16H,11-12H2,(H,25,26)(H,27,31)
InChIKeyFOAYZZNGWGHHFO-UHFFFAOYSA-N
XLogP3.76
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate
CID 170092352
5,7-diphenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259348
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256671
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089556
N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1097403
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
CID 91763304

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 170089605) is N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCc1ncc[nH]1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FOAYZZNGWGHHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c31-24(27-12-11-22-25-13-14-26-22)20-16-23-28-19(17-7-3-1-4-8-17)15-21(30(23)29-20)18-9-5-2-6-10-18/h1-10,13-16H,11-12H2,(H,25,26)(H,27,31).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 170089605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).