4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide

C17H22N4O4 — CID 91633519

IUPAC4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC(C)C)nn(C(C)C)c1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H22N4O4/c1-10(2)18-16(22)15-12(5)17(20(19-15)11(3)4)25-14-9-7-6-8-13(14)21(23)24/h6-11H,1-5H3,(H,18,22)
InChIKeyGHSYKZRSILMYMY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.61
Rot. Bonds6

About 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide

4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide (PubChem CID 91633519) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide
PubChem CID91633519
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC(C)C)nn(C(C)C)c1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H22N4O4/c1-10(2)18-16(22)15-12(5)17(20(19-15)11(3)4)25-14-9-7-6-8-13(14)21(23)24/h6-11H,1-5H3,(H,18,22)
InChIKeyGHSYKZRSILMYMY-UHFFFAOYSA-N
XLogP3.61
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.61
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'}

Analyze 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-nitrophenyl) N-propan-2-ylcarbamate
CID 11241573
1-[(2-nitrophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19274039
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2-nitrophenoxy)propanamide
CID 47893047
2-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)oxyaniline
CID 66028535
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
CID 42812033
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-nitrobenzamide
CID 19462806
8-nitro-N-propan-2-ylnaphthalene-1-carboxamide
CID 163233016
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide (CID 91633519) is 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide is Cc1c(C(=O)NC(C)C)nn(C(C)C)c1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide?
The InChIKey is GHSYKZRSILMYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(2)18-16(22)15-12(5)17(20(19-15)11(3)4)25-14-9-7-6-8-13(14)21(23)24/h6-11H,1-5H3,(H,18,22).
What are the key properties of 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide?
4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 91633519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).