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

C15H13N5O4 — CID 19416918

IUPACN-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ncccn3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13N5O4/c1-2-24-10-4-5-11(13(8-10)20(22)23)17-15(21)12-9-14-16-6-3-7-19(14)18-12/h3-9H,2H2,1H3,(H,17,21)
InChIKeyUTRDGRYRQYZJFG-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.29
Rot. Bonds5

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

N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19416918) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19416918
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC NameN-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ncccn3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13N5O4/c1-2-24-10-4-5-11(13(8-10)20(22)23)17-15(21)12-9-14-16-6-3-7-19(14)18-12/h3-9H,2H2,1H3,(H,17,21)
InChIKeyUTRDGRYRQYZJFG-UHFFFAOYSA-N
XLogP2.29
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
7-[chloro(difluoro)methyl]-N-(4-ethoxy-2-nitrophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458023
N-(4-ethoxy-2-nitrophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269304
N-(4-ethoxy-2-nitrophenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476108
2-[(4-chlorophenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19507397
N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7708075
4-bromo-N-(4-ethoxy-2-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19475048
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide
CID 3143002
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19416918) is N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(NC(=O)c2cc3ncccn3n2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UTRDGRYRQYZJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-2-24-10-4-5-11(13(8-10)20(22)23)17-15(21)12-9-14-16-6-3-7-19(14)18-12/h3-9H,2H2,1H3,(H,17,21).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19416918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).