N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide

C14H14N4O4 — CID 91633508

IUPACN-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)cc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O4/c1-17-13(8-10(16-17)14(19)15-9-6-7-9)22-12-5-3-2-4-11(12)18(20)21/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyPOAAPNJFMLABAF-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.01
Rot. Bonds5

About N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide

N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide (PubChem CID 91633508) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
PubChem CID91633508
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)cc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O4/c1-17-13(8-10(16-17)14(19)15-9-6-7-9)22-12-5-3-2-4-11(12)18(20)21/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyPOAAPNJFMLABAF-UHFFFAOYSA-N
XLogP2.01
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.01
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-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
CID 83282069
1-methyl-5-(2-nitrophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 90488352
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 83280559
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-(4-aminocyclohexyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 119475112
N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
CID 21102223
N-(4-isocyanocyclohexyl)-2-nitrobenzamide
CID 123970448
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335992
N-[(2R)-butan-2-yl]-1-methyl-5-(3-methyl-4-nitrophenoxy)pyrazole-3-carboxamide
CID 97046805
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
CID 87013578

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide (CID 91633508) is N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide is Cn1nc(C(=O)NC2CC2)cc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
The InChIKey is POAAPNJFMLABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-17-13(8-10(16-17)14(19)15-9-6-7-9)22-12-5-3-2-4-11(12)18(20)21/h2-5,8-9H,6-7H2,1H3,(H,15,19).
What are the key properties of N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 91633508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).