7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H19N5O2 — CID 142799095

IUPAC7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c(-c3ccccc3N)ccnc12
InChIInChI=1S/C25H19N5O2/c26-20-9-5-4-8-19(20)21-14-15-28-25-22(24(27)31)23(29-30(21)25)16-10-12-18(13-11-16)32-17-6-2-1-3-7-17/h1-15H,26H2,(H2,27,31)
InChIKeyUTAOMTWUTBFKJB-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.54
Rot. Bonds5

About 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142799095) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142799095
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c(-c3ccccc3N)ccnc12
InChIInChI=1S/C25H19N5O2/c26-20-9-5-4-8-19(20)21-14-15-28-25-22(24(27)31)23(29-30(21)25)16-10-12-18(13-11-16)32-17-6-2-1-3-7-17/h1-15H,26H2,(H2,27,31)
InChIKeyUTAOMTWUTBFKJB-UHFFFAOYSA-N
XLogP4.54
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-[3-(2-oxobut-3-enyl)phenyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 149355436
8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane
CID 158266737
(2S,6R)-11-(4-phenoxyphenyl)-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide
CID 136970117
(7R)-7-(3-aminophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228120
6-[(1,3-dioxoisoindol-2-yl)methyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928080
[3-amino-4-carbamoyl-5-(4-phenoxyphenyl)pyrazol-1-yl] 2,2,2-trifluoroacetate
CID 174929738
2-methyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042087
2,4-diphenylpyridine-3-carboxamide
CID 21157292
5-amino-1-[1-(cyanomethyl)piperidin-4-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 90136332
2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1,8-dicarboxamide
CID 175750463
2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide
CID 69092284
5-amino-1-[(3R)-1-[(Z)-4,4-dihydroxybut-2-enoyl]pyrrolidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 129157921

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142799095) is 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c(-c3ccccc3N)ccnc12.
What is the InChIKey of 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UTAOMTWUTBFKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c26-20-9-5-4-8-19(20)21-14-15-28-25-22(24(27)31)23(29-30(21)25)16-10-12-18(13-11-16)32-17-6-2-1-3-7-17/h1-15H,26H2,(H2,27,31).
What are the key properties of 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142799095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).