4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide

C14H16N4O4 — CID 91407459

IUPAC4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide
SMILESCCc1c(Oc2ccc([N+](=O)[O-])c(C)c2)nn(C(N)=O)c1C
InChIInChI=1S/C14H16N4O4/c1-4-11-9(3)17(14(15)19)16-13(11)22-10-5-6-12(18(20)21)8(2)7-10/h5-7H,4H2,1-3H3,(H2,15,19)
InChIKeyQJNWTJYGTKFLNK-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.69
Rot. Bonds4

About 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide

4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide (PubChem CID 91407459) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide
PubChem CID91407459
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide
SMILESCCc1c(Oc2ccc([N+](=O)[O-])c(C)c2)nn(C(N)=O)c1C
InChIInChI=1S/C14H16N4O4/c1-4-11-9(3)17(14(15)19)16-13(11)22-10-5-6-12(18(20)21)8(2)7-10/h5-7H,4H2,1-3H3,(H2,15,19)
InChIKeyQJNWTJYGTKFLNK-UHFFFAOYSA-N
XLogP2.69
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.69
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

4-ethyl-5-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide
CID 91586699
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
CID 80989485
2-(3-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114055703
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
methyl 4-(3-methyl-4-nitrophenoxy)benzoate
CID 60980580
1-[1,3-dimethyl-5-(3-methyl-4-nitrophenoxy)pyrazol-4-yl]-N-methylmethanamine
CID 61031661
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
N-[(2R)-butan-2-yl]-1-methyl-5-(3-methyl-4-nitrophenoxy)pyrazole-3-carboxamide
CID 97046805
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
CID 104536614
4-ethyl-5-(3-methyl-4-nitrophenyl)-1,2-oxazol-3-amine
CID 66198636

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide (CID 91407459) is 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide is CCc1c(Oc2ccc([N+](=O)[O-])c(C)c2)nn(C(N)=O)c1C.
What is the InChIKey of 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide?
The InChIKey is QJNWTJYGTKFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-4-11-9(3)17(14(15)19)16-13(11)22-10-5-6-12(18(20)21)8(2)7-10/h5-7H,4H2,1-3H3,(H2,15,19).
What are the key properties of 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide?
4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide is sourced from PubChem (CID 91407459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).