1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

C18H21N7O6 — CID 19558202

IUPAC1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc([N+](=O)[O-])c(OC)n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H21N7O6/c1-3-23-10-13(16(21-23)17(27)19-9-12-5-4-8-31-12)20-15(26)6-7-24-11-14(25(28)29)18(22-24)30-2/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,19,27)(H,20,26)
InChIKeyOVFWADFBVUJRKG-UHFFFAOYSA-N
MW431.41 g/mol
LogP1.57
Rot. Bonds10

About 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (PubChem CID 19558202) has the molecular formula C18H21N7O6 and a molecular weight of 431.41 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
PubChem CID19558202
Molecular FormulaC18H21N7O6
Molecular Weight431.41 g/mol
Exact Mass431.16
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc([N+](=O)[O-])c(OC)n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H21N7O6/c1-3-23-10-13(16(21-23)17(27)19-9-12-5-4-8-31-12)20-15(26)6-7-24-11-14(25(28)29)18(22-24)30-2/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,19,27)(H,20,26)
InChIKeyOVFWADFBVUJRKG-UHFFFAOYSA-N
XLogP1.57
TPSA159.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
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 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]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

4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19567901
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021
1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19541900
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxamide
CID 19511102
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846
1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19569994
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701
4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400329
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400201
1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
CID 19516989
1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400334

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (CID 19558202) is 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is CCn1cc(NC(=O)CCn2cc([N+](=O)[O-])c(OC)n2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The InChIKey is OVFWADFBVUJRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O6/c1-3-23-10-13(16(21-23)17(27)19-9-12-5-4-8-31-12)20-15(26)6-7-24-11-14(25(28)29)18(22-24)30-2/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,19,27)(H,20,26).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is sourced from PubChem (CID 19558202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).