N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide

C9H9N5O4 — CID 19479748

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O4/c1-4-7(5(2)18-13-4)11-9(15)8-6(14(16)17)3-10-12-8/h3H,1-2H3,(H,10,12)(H,11,15)
InChIKeyMGLPTRRHYPIRFU-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.18
Rot. Bonds3

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19479748) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19479748
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O4/c1-4-7(5(2)18-13-4)11-9(15)8-6(14(16)17)3-10-12-8/h3H,1-2H3,(H,10,12)(H,11,15)
InChIKeyMGLPTRRHYPIRFU-UHFFFAOYSA-N
XLogP1.18
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
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

4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
CID 19507770
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitrobenzamide
CID 102468027
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19338603
N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 20784983
N-hexyl-4-nitro-1H-pyrazole-5-carboxamide
CID 2840083
N-(3-chloro-2-hydroxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 75436462
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19404118
dimethyl 3-methyl-5-[(4-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 19479533
N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19479717
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479545
N-(1-methylbenzimidazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 831829
N-(2-chloro-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 903911

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide (CID 19479748) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide is Cc1noc(C)c1NC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is MGLPTRRHYPIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c1-4-7(5(2)18-13-4)11-9(15)8-6(14(16)17)3-10-12-8/h3H,1-2H3,(H,10,12)(H,11,15).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 251.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).