N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide

C13H15N3O — CID 166428635

IUPACN-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C13H15N3O/c1-4-13(17)15-9(2)10-5-6-12-11(7-10)8-14-16(12)3/h4-9H,1H2,2-3H3,(H,15,17)
InChIKeyDJPSFAKEMARRMT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.94
Rot. Bonds3

About N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide

N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide (PubChem CID 166428635) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
PubChem CID166428635
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C13H15N3O/c1-4-13(17)15-9(2)10-5-6-12-11(7-10)8-14-16(12)3/h4-9H,1H2,2-3H3,(H,15,17)
InChIKeyDJPSFAKEMARRMT-UHFFFAOYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide
CID 163967880
N-[(1R)-1-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)ethyl]prop-2-enamide
CID 172887533
N-[(1S)-1-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 167843954
N-[(1S)-1-(3,5-difluorophenyl)ethyl]prop-2-enamide
CID 167781770
2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol
CID 155717780
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
N-[(1S)-1-(3-bromo-4-fluorophenyl)ethyl]prop-2-enamide
CID 166408346
N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide
CID 166410284
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide
CID 172887522
[(1R)-2-(4-tert-butyl-3,5-difluoroanilino)-1-(1-methylindazol-5-yl)-2-oxoethyl]carbamic acid
CID 121316665

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide (CID 166428635) is N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide is C=CC(=O)NC(C)c1ccc2c(cnn2C)c1.
What is the InChIKey of N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is DJPSFAKEMARRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-4-13(17)15-9(2)10-5-6-12-11(7-10)8-14-16(12)3/h4-9H,1H2,2-3H3,(H,15,17).
What are the key properties of N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide?
N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 229.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 166428635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).