N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C19H22N4O3 — CID 154792649

IUPACN-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCOc1ccc(C=CC(=O)N2CCC(n3ccc(NC(C)=O)n3)C2)cc1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-18-10-12-23(21-18)16-9-11-22(13-16)19(25)8-5-15-3-6-17(26-2)7-4-15/h3-8,10,12,16H,9,11,13H2,1-2H3,(H,20,21,24)
InChIKeyCHWYYPWPFIENPK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.34
Rot. Bonds5

About N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 154792649) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID154792649
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCOc1ccc(C=CC(=O)N2CCC(n3ccc(NC(C)=O)n3)C2)cc1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-18-10-12-23(21-18)16-9-11-22(13-16)19(25)8-5-15-3-6-17(26-2)7-4-15/h3-8,10,12,16H,9,11,13H2,1-2H3,(H,20,21,24)
InChIKeyCHWYYPWPFIENPK-UHFFFAOYSA-N
XLogP2.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
(E)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 27912646
(E)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 60958280
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]prop-2-en-1-one
CID 100612238
N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326453
N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326651
3-(4-methoxyphenyl)-1-[4-[4-(piperidine-1-carbonyl)triazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74441833
N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327694

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 154792649) is N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is COc1ccc(C=CC(=O)N2CCC(n3ccc(NC(C)=O)n3)C2)cc1.
What is the InChIKey of N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is CHWYYPWPFIENPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(24)20-18-10-12-23(21-18)16-9-11-22(13-16)19(25)8-5-15-3-6-17(26-2)7-4-15/h3-8,10,12,16H,9,11,13H2,1-2H3,(H,20,21,24).
What are the key properties of N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 154792649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).