N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22N4O3 — CID 55664091

IUPACN-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1
InChIInChI=1S/C23H22N4O3/c1-3-29-17-10-11-21(30-4-2)19(14-17)26-23(28)18-15-25-27-20(12-13-24-22(18)27)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,26,28)
InChIKeyFNPLPHBOTRYFPW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.45
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55664091) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55664091
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1
InChIInChI=1S/C23H22N4O3/c1-3-29-17-10-11-21(30-4-2)19(14-17)26-23(28)18-15-25-27-20(12-13-24-22(18)27)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,26,28)
InChIKeyFNPLPHBOTRYFPW-UHFFFAOYSA-N
XLogP4.45
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46435358
N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86860357
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18205806
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440525
N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972472
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972126
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55853108
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55664091) is N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FNPLPHBOTRYFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-29-17-10-11-21(30-4-2)19(14-17)26-23(28)18-15-25-27-20(12-13-24-22(18)27)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,26,28).
What are the key properties of N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55664091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).