N-(1H-indazol-3-yl)prop-2-enamide

C10H9N3O — CID 62686025

IUPACN-(1H-indazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C10H9N3O/c1-2-9(14)11-10-7-5-3-4-6-8(7)12-13-10/h2-6H,1H2,(H2,11,12,13,14)
InChIKeyBDSIBLQPFOVKNZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.69
Rot. Bonds2

About N-(1H-indazol-3-yl)prop-2-enamide

N-(1H-indazol-3-yl)prop-2-enamide (PubChem CID 62686025) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)prop-2-enamide
PubChem CID62686025
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-(1H-indazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C10H9N3O/c1-2-9(14)11-10-7-5-3-4-6-8(7)12-13-10/h2-6H,1H2,(H2,11,12,13,14)
InChIKeyBDSIBLQPFOVKNZ-UHFFFAOYSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.69
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

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N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551
N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide
CID 6539593
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539606
N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-(6-(4-aminophenyl)-1H-indazol-3-yl)butyramide
CID 10085818
N-[6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 10265187
N-(6-chloro-1H-indazol-3-yl)butyramide
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N-(6-bromo-1H-indazol-3-yl)butyramide
CID 10423871

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)prop-2-enamide?
The IUPAC name of N-(1H-indazol-3-yl)prop-2-enamide (CID 62686025) is N-(1H-indazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1H-indazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(1H-indazol-3-yl)prop-2-enamide is C=CC(=O)Nc1n[nH]c2ccccc12.
What is the InChIKey of N-(1H-indazol-3-yl)prop-2-enamide?
The InChIKey is BDSIBLQPFOVKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-9(14)11-10-7-5-3-4-6-8(7)12-13-10/h2-6H,1H2,(H2,11,12,13,14).
What are the key properties of N-(1H-indazol-3-yl)prop-2-enamide?
N-(1H-indazol-3-yl)prop-2-enamide has a molecular weight of 187.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)prop-2-enamide is sourced from PubChem (CID 62686025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).