(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C19H22N4O2 — CID 26955793

IUPAC(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C19H22N4O2/c1-13-15(14(2)22(3)21-13)10-11-18(24)20-16-7-4-5-8-17(16)23-12-6-9-19(23)25/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,20,24)/b11-10+
InChIKeyROSPVDXSUOIMCB-ZHACJKMWSA-N
MW338.41 g/mol
LogP2.82
Rot. Bonds4

About (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 26955793) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID26955793
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C19H22N4O2/c1-13-15(14(2)22(3)21-13)10-11-18(24)20-16-7-4-5-8-17(16)23-12-6-9-19(23)25/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,20,24)/b11-10+
InChIKeyROSPVDXSUOIMCB-ZHACJKMWSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.82
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

(E)-N-(2-pyrrolidin-1-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 35358115
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879260
(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 46692727
(E)-3-(3-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26955361
(E)-N-(4-anilinophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 51112475
(E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 75467330
(E)-N-(2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17439134
N-(2-fluoro-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 71904696
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
(E)-N-(4-phenoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26114809
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 46616368
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26955538

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 26955793) is (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ROSPVDXSUOIMCB-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-15(14(2)22(3)21-13)10-11-18(24)20-16-7-4-5-8-17(16)23-12-6-9-19(23)25/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,20,24)/b11-10+.
What are the key properties of (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 26955793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).