N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide

C12H14N4O3 — CID 75484199

IUPACN-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccoc1C(=O)NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H14N4O3/c1-8-3-7-19-10(8)12(18)14-6-5-13-11(17)9-2-4-15-16-9/h2-4,7H,5-6H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyWMZYHWUBDJUTEA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.47
Rot. Bonds5

About N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 75484199) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID75484199
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccoc1C(=O)NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H14N4O3/c1-8-3-7-19-10(8)12(18)14-6-5-13-11(17)9-2-4-15-16-9/h2-4,7H,5-6H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyWMZYHWUBDJUTEA-UHFFFAOYSA-N
XLogP0.47
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-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-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide (CID 75484199) is N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide is Cc1ccoc1C(=O)NCCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WMZYHWUBDJUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8-3-7-19-10(8)12(18)14-6-5-13-11(17)9-2-4-15-16-9/h2-4,7H,5-6H2,1H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylfuran-2-carbonyl)amino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75484199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).