(Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

C17H18N4O — CID 97456599

IUPAC(Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ccc2cc(NC(=O)/C=C\c3cnn(C)c3)ccc21
InChIInChI=1S/C17H18N4O/c1-3-21-9-8-14-10-15(5-6-16(14)21)19-17(22)7-4-13-11-18-20(2)12-13/h4-12H,3H2,1-2H3,(H,19,22)/b7-4-
InChIKeyZLMHGDCGNCEPEW-DAXSKMNVSA-N
MW294.36 g/mol
LogP3.05
Rot. Bonds4

About (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

(Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 97456599) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID97456599
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ccc2cc(NC(=O)/C=C\c3cnn(C)c3)ccc21
InChIInChI=1S/C17H18N4O/c1-3-21-9-8-14-10-15(5-6-16(14)21)19-17(22)7-4-13-11-18-20(2)12-13/h4-12H,3H2,1-2H3,(H,19,22)/b7-4-
InChIKeyZLMHGDCGNCEPEW-DAXSKMNVSA-N
XLogP3.05
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43170119
(E)-N-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 29110301
ethyl 4-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]benzoate
CID 1223826
(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 24659629
methyl 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoate
CID 29112038
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide
CID 76878750
(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 30991883
(E)-3-(1-methylpyrazol-4-yl)-N-pentan-3-ylprop-2-enamide
CID 24680958
(E)-N-(5-chloro-2-fluorophenyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 47110059
(E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide
CID 166162428
N-[2-(hydroxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 61497888
(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
CID 9072850

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 97456599) is (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is CCn1ccc2cc(NC(=O)/C=C\c3cnn(C)c3)ccc21.
What is the InChIKey of (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZLMHGDCGNCEPEW-DAXSKMNVSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-21-9-8-14-10-15(5-6-16(14)21)19-17(22)7-4-13-11-18-20(2)12-13/h4-12H,3H2,1-2H3,(H,19,22)/b7-4-.
What are the key properties of (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 294.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 97456599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).