N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

C13H15N9O3 — CID 19265762

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2ccn(Cn3cnc([N+](=O)[O-])n3)n2)cn1
InChIInChI=1S/C13H15N9O3/c1-2-19-7-10(6-16-19)5-14-12(23)11-3-4-20(17-11)9-21-8-15-13(18-21)22(24)25/h3-4,6-8H,2,5,9H2,1H3,(H,14,23)
InChIKeyOLXMUZUAHKUHFO-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.04
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19265762) has the molecular formula C13H15N9O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
PubChem CID19265762
Molecular FormulaC13H15N9O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2ccn(Cn3cnc([N+](=O)[O-])n3)n2)cn1
InChIInChI=1S/C13H15N9O3/c1-2-19-7-10(6-16-19)5-14-12(23)11-3-4-20(17-11)9-21-8-15-13(18-21)22(24)25/h3-4,6-8H,2,5,9H2,1H3,(H,14,23)
InChIKeyOLXMUZUAHKUHFO-UHFFFAOYSA-N
XLogP0.04
TPSA138.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide (CID 19265762) is N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide is CCn1cc(CNC(=O)c2ccn(Cn3cnc([N+](=O)[O-])n3)n2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is OLXMUZUAHKUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N9O3/c1-2-19-7-10(6-16-19)5-14-12(23)11-3-4-20(17-11)9-21-8-15-13(18-21)22(24)25/h3-4,6-8H,2,5,9H2,1H3,(H,14,23).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19265762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).