N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide

C19H23N3O — CID 1235941

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1nc(C)c(C=CC(=O)Nc2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C19H23N3O/c1-4-22-14(3)18(13(2)21-22)10-11-19(23)20-17-9-8-15-6-5-7-16(15)12-17/h8-12H,4-7H2,1-3H3,(H,20,23)
InChIKeyWNIIZFMSASZTLV-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.66
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 1235941) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide
PubChem CID1235941
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1nc(C)c(C=CC(=O)Nc2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C19H23N3O/c1-4-22-14(3)18(13(2)21-22)10-11-19(23)20-17-9-8-15-6-5-7-16(15)12-17/h8-12H,4-7H2,1-3H3,(H,20,23)
InChIKeyWNIIZFMSASZTLV-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.66
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

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-fluorophenyl)prop-2-enamide
CID 832036
(E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 19579633
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)prop-2-enamide
CID 166280350
(E)-N-(4-ethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26697174
3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
CID 4811542
(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 46692727
(E)-N-[3-(hydroxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 60629885
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728
(E)-N-(1,3-benzodioxol-5-yl)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enamide
CID 8869941
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3,4-difluorophenyl)prop-2-enamide
CID 26245113
(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 55484568

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide (CID 1235941) is N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide is CCn1nc(C)c(C=CC(=O)Nc2ccc3c(c2)CCC3)c1C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is WNIIZFMSASZTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-22-14(3)18(13(2)21-22)10-11-19(23)20-17-9-8-15-6-5-7-16(15)12-17/h8-12H,4-7H2,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 1235941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).