N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C18H21N5O3 — CID 47889480

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2CCCN2C(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H21N5O3/c19-16(24)12-22-11-14(10-20-22)21-18(26)15-7-4-8-23(15)17(25)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,15H,4,7-9,12H2,(H2,19,24)(H,21,26)
InChIKeyNQWBUOVGYGOVDW-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.54
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 47889480) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID47889480
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2CCCN2C(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H21N5O3/c19-16(24)12-22-11-14(10-20-22)21-18(26)15-7-4-8-23(15)17(25)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,15H,4,7-9,12H2,(H2,19,24)(H,21,26)
InChIKeyNQWBUOVGYGOVDW-UHFFFAOYSA-N
XLogP0.54
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
(2S)-N-[4-[2-[4-[(2-cyclopropylacetyl)amino]phenyl]ethynyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 129159143
(2S)-1-(2-phenylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58533068
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 136526513
(2S)-N-[4-[2-(4-benzamidophenyl)ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 91593146
(2S)-N-[4-[(E)-2-(4-benzamidophenyl)ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 58768832
1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 47727451
N-[4-[2-(dimethylamino)ethyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136523262

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 47889480) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is NC(=O)Cn1cc(NC(=O)C2CCCN2C(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is NQWBUOVGYGOVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-16(24)12-22-11-14(10-20-22)21-18(26)15-7-4-8-23(15)17(25)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,15H,4,7-9,12H2,(H2,19,24)(H,21,26).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47889480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).