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

C20H15N5O4 — CID 19440566

IUPACN-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)Nc4cc([N+](=O)[O-])ccc4O)cnn23)cc1
InChIInChI=1S/C20H15N5O4/c1-12-2-4-13(5-3-12)17-8-9-21-19-15(11-22-24(17)19)20(27)23-16-10-14(25(28)29)6-7-18(16)26/h2-11,26H,1H3,(H,23,27)
InChIKeyKTRIDRMTRXIMPQ-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.57
Rot. Bonds4

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

N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440566) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440566
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)Nc4cc([N+](=O)[O-])ccc4O)cnn23)cc1
InChIInChI=1S/C20H15N5O4/c1-12-2-4-13(5-3-12)17-8-9-21-19-15(11-22-24(17)19)20(27)23-16-10-14(25(28)29)6-7-18(16)26/h2-11,26H,1H3,(H,23,27)
InChIKeyKTRIDRMTRXIMPQ-UHFFFAOYSA-N
XLogP3.57
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440483
N-(2,6-dibromo-4-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440379
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-(1,3-dimethylpyrazol-4-yl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19346262
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-(4-bromo-2-fluorophenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17022131
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methoxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414812
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440566) is N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4cc([N+](=O)[O-])ccc4O)cnn23)cc1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KTRIDRMTRXIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-12-2-4-13(5-3-12)17-8-9-21-19-15(11-22-24(17)19)20(27)23-16-10-14(25(28)29)6-7-18(16)26/h2-11,26H,1H3,(H,23,27).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).