1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide

C14H15N7O4 — CID 86790496

IUPAC1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide
SMILESCCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1
InChIInChI=1S/C14H15N7O4/c1-4-20-11(10(21(23)24)8(3)19-20)13(22)16-14-15-12(17-18-14)9-6-5-7(2)25-9/h5-6H,4H2,1-3H3,(H2,15,16,17,18,22)
InChIKeyQZCRMOPSGWLLLQ-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.06
Rot. Bonds5

About 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide

1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide (PubChem CID 86790496) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide
PubChem CID86790496
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide
SMILESCCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1
InChIInChI=1S/C14H15N7O4/c1-4-20-11(10(21(23)24)8(3)19-20)13(22)16-14-15-12(17-18-14)9-6-5-7(2)25-9/h5-6H,4H2,1-3H3,(H2,15,16,17,18,22)
InChIKeyQZCRMOPSGWLLLQ-UHFFFAOYSA-N
XLogP2.06
TPSA144.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.06
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 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide
CID 86790322
N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carboxamide
CID 84598291
N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 154750417
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480818
2-ethyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-5-methylpyrazole-3-carboxamide
CID 56783949
1-ethyl-3-methyl-4-[(2-nitrobenzoyl)amino]-N-phenylpyrazole-5-carboxamide
CID 10668281
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-ethyl-3-methyl-4-nitropyrazole-5-carboxamide
CID 75400777
1,5-dimethyl-N-[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
CID 71919927
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480868
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480627
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutanoic acid
CID 66011790

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide (CID 86790496) is 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide is CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide?
The InChIKey is QZCRMOPSGWLLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O4/c1-4-20-11(10(21(23)24)8(3)19-20)13(22)16-14-15-12(17-18-14)9-6-5-7(2)25-9/h5-6H,4H2,1-3H3,(H2,15,16,17,18,22).
What are the key properties of 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide?
1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 86790496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).