N-(4-fluoro-1H-indazol-3-yl)but-2-enamide

C11H10FN3O — CID 171141234

IUPACN-(4-fluoro-1H-indazol-3-yl)but-2-enamide
SMILESCC=CC(=O)Nc1n[nH]c2cccc(F)c12
InChIInChI=1S/C11H10FN3O/c1-2-4-9(16)13-11-10-7(12)5-3-6-8(10)14-15-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyKRRVLFAMNWIDEK-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.22
Rot. Bonds2

About N-(4-fluoro-1H-indazol-3-yl)but-2-enamide

N-(4-fluoro-1H-indazol-3-yl)but-2-enamide (PubChem CID 171141234) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-(4-fluoro-1H-indazol-3-yl)but-2-enamide.

Molecular Properties

Compound NameN-(4-fluoro-1H-indazol-3-yl)but-2-enamide
PubChem CID171141234
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-(4-fluoro-1H-indazol-3-yl)but-2-enamide
SMILESCC=CC(=O)Nc1n[nH]c2cccc(F)c12
InChIInChI=1S/C11H10FN3O/c1-2-4-9(16)13-11-10-7(12)5-3-6-8(10)14-15-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyKRRVLFAMNWIDEK-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
CID 110470956
N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
CID 110470290
N-(4-fluoro-1H-indazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 167980675
phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate
CID 110472442
N-(4-fluoro-1H-indazol-3-yl)-3-methylfuran-2-carboxamide
CID 51102710
N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119304839
N-(4-fluoro-1H-indazol-3-yl)pyrazine-2-carboxamide
CID 51102709
(E)-N-(1H-indazol-4-yl)but-2-enamide
CID 110470186
N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 47090311
5-fluoro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 21467007
(E)-N-[2-(aminomethyl)-3-fluorophenyl]but-2-enamide
CID 82507552
N'-(4-fluoro-1H-indazol-3-yl)benzenesulfonohydrazide
CID 134581072

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1H-indazol-3-yl)but-2-enamide?
The IUPAC name of N-(4-fluoro-1H-indazol-3-yl)but-2-enamide (CID 171141234) is N-(4-fluoro-1H-indazol-3-yl)but-2-enamide.
What is the SMILES notation for N-(4-fluoro-1H-indazol-3-yl)but-2-enamide?
The canonical SMILES for N-(4-fluoro-1H-indazol-3-yl)but-2-enamide is CC=CC(=O)Nc1n[nH]c2cccc(F)c12.
What is the InChIKey of N-(4-fluoro-1H-indazol-3-yl)but-2-enamide?
The InChIKey is KRRVLFAMNWIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-2-4-9(16)13-11-10-7(12)5-3-6-8(10)14-15-11/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of N-(4-fluoro-1H-indazol-3-yl)but-2-enamide?
N-(4-fluoro-1H-indazol-3-yl)but-2-enamide has a molecular weight of 219.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1H-indazol-3-yl)but-2-enamide is sourced from PubChem (CID 171141234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).