N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C19H24N4O3 — CID 95127567

IUPACN-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H24N4O3/c1-2-26-17-9-4-3-8-16(17)21-18(24)13-19(25)23-12-5-7-15(23)14-22-11-6-10-20-22/h3-4,6,8-11,15H,2,5,7,12-14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyIIYXMHPNAUAESH-OAHLLOKOSA-N
MW356.43 g/mol
LogP2.30
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 95127567) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID95127567
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H24N4O3/c1-2-26-17-9-4-3-8-16(17)21-18(24)13-19(25)23-12-5-7-15(23)14-22-11-6-10-20-22/h3-4,6,8-11,15H,2,5,7,12-14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyIIYXMHPNAUAESH-OAHLLOKOSA-N
XLogP2.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
(2R)-2-methoxy-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603784
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129428643
4-(2,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 95352453
[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346461

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 95127567) is N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is CCOc1ccccc1NC(=O)CC(=O)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is IIYXMHPNAUAESH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-26-17-9-4-3-8-16(17)21-18(24)13-19(25)23-12-5-7-15(23)14-22-11-6-10-20-22/h3-4,6,8-11,15H,2,5,7,12-14H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95127567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).