5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide

C14H13N7O4 — CID 169403843

IUPAC5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1COc1ccccc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C14H13N7O4/c1-8-6-11(21(23)24)18-20(8)7-25-10-5-3-2-4-9(10)12-13(14(15)22)17-19-16-12/h2-6H,7H2,1H3,(H2,15,22)(H,16,17,19)
InChIKeyHIIIQBXWPAEUHD-UHFFFAOYSA-N
MW343.30 g/mol
LogP1.02
Rot. Bonds6

About 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide

5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403843) has the molecular formula C14H13N7O4 and a molecular weight of 343.30 g/mol. Its IUPAC name is 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403843
Molecular FormulaC14H13N7O4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1COc1ccccc1-c1n[nH]nc1C(N)=O
InChIInChI=1S/C14H13N7O4/c1-8-6-11(21(23)24)18-20(8)7-25-10-5-3-2-4-9(10)12-13(14(15)22)17-19-16-12/h2-6H,7H2,1H3,(H2,15,22)(H,16,17,19)
InChIKeyHIIIQBXWPAEUHD-UHFFFAOYSA-N
XLogP1.02
TPSA154.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-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

3-[(5-methyl-3-nitropyrazol-1-yl)methoxy]benzohydrazide
CID 19618602
5-[3-[(3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404108
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403652
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19283258
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404204
5-[2-(4-morpholin-4-ylbutoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403663
5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402633
ethyl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
CID 771926
5-(2,4-dinitrophenyl)-2H-triazole-4-carboxamide
CID 169402058

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403843) is 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide is Cc1cc([N+](=O)[O-])nn1COc1ccccc1-c1n[nH]nc1C(N)=O.
What is the InChIKey of 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is HIIIQBXWPAEUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O4/c1-8-6-11(21(23)24)18-20(8)7-25-10-5-3-2-4-9(10)12-13(14(15)22)17-19-16-12/h2-6H,7H2,1H3,(H2,15,22)(H,16,17,19).
What are the key properties of 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide?
5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 343.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-methyl-3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).