(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

C20H15N3O — CID 78874032

IUPAC(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O/c24-20(18-13-21-19-9-5-4-8-17(18)19)11-10-15-12-22-23(14-15)16-6-2-1-3-7-16/h1-14,21H/b11-10+
InChIKeyOJCYCASMMVNUIQ-ZHACJKMWSA-N
MW313.36 g/mol
LogP4.25
Rot. Bonds4

About (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 78874032) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
PubChem CID78874032
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O/c24-20(18-13-21-19-9-5-4-8-17(18)19)11-10-15-12-22-23(14-15)16-6-2-1-3-7-16/h1-14,21H/b11-10+
InChIKeyOJCYCASMMVNUIQ-ZHACJKMWSA-N
XLogP4.25
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.25
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

(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 11357505
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
(E)-1-(4-bromophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9026830
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
(E)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 60591843
(E)-1-(3-methyl-1-benzofuran-2-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 34047124
(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9033178
(E)-3-(3-chlorophenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122798
N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 29258148
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 78873903

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one (CID 78874032) is (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1cnn(-c2ccccc2)c1)c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is OJCYCASMMVNUIQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20(18-13-21-19-9-5-4-8-17(18)19)11-10-15-12-22-23(14-15)16-6-2-1-3-7-16/h1-14,21H/b11-10+.
What are the key properties of (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 313.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 78874032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).