7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H15N5O3 — CID 19440483

IUPAC7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)Nc4ccccc4[N+](=O)[O-])cnn23)cc1
InChIInChI=1S/C20H15N5O3/c1-13-6-8-14(9-7-13)17-10-11-21-19-15(12-22-24(17)19)20(26)23-16-4-2-3-5-18(16)25(27)28/h2-12H,1H3,(H,23,26)
InChIKeyUTJSDIWTQLWVNI-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.87
Rot. Bonds4

About 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440483) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440483
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)Nc4ccccc4[N+](=O)[O-])cnn23)cc1
InChIInChI=1S/C20H15N5O3/c1-13-6-8-14(9-7-13)17-10-11-21-19-15(12-22-24(17)19)20(26)23-16-4-2-3-5-18(16)25(27)28/h2-12H,1H3,(H,23,26)
InChIKeyUTJSDIWTQLWVNI-UHFFFAOYSA-N
XLogP3.87
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440566
N-(2-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416752
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-(2,6-dibromo-4-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440379
N-(1,3-dimethylpyrazol-4-yl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19346262
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
CID 19440492
N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972472

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440483) is 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4ccccc4[N+](=O)[O-])cnn23)cc1.
What is the InChIKey of 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UTJSDIWTQLWVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-13-6-8-14(9-7-13)17-10-11-21-19-15(12-22-24(17)19)20(26)23-16-4-2-3-5-18(16)25(27)28/h2-12H,1H3,(H,23,26).
What are the key properties of 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).