N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide

C18H23N5O2 — CID 146138024

IUPACN-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide
SMILESCC(c1ccccc1)n1ccc(NC(=O)CNC(=O)N2CCCC2)n1
InChIInChI=1S/C18H23N5O2/c1-14(15-7-3-2-4-8-15)23-12-9-16(21-23)20-17(24)13-19-18(25)22-10-5-6-11-22/h2-4,7-9,12,14H,5-6,10-11,13H2,1H3,(H,19,25)(H,20,21,24)
InChIKeyDIMTXIXGOQSFER-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.24
Rot. Bonds5

About N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide

N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide (PubChem CID 146138024) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide
PubChem CID146138024
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide
SMILESCC(c1ccccc1)n1ccc(NC(=O)CNC(=O)N2CCCC2)n1
InChIInChI=1S/C18H23N5O2/c1-14(15-7-3-2-4-8-15)23-12-9-16(21-23)20-17(24)13-19-18(25)22-10-5-6-11-22/h2-4,7-9,12,14H,5-6,10-11,13H2,1H3,(H,19,25)(H,20,21,24)
InChIKeyDIMTXIXGOQSFER-UHFFFAOYSA-N
XLogP2.24
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenyl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 71970163
3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
CID 97225833
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 166341323
N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide
CID 71919085
2-methyl-N-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]-1H-pyrrole-3-carboxamide
CID 97066125
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 98874227
N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 99850149
4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 146129104
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 99791560
(3S)-N-(2-anilino-2-oxoethyl)-3-methylsulfanylazepane-1-carboxamide
CID 129380897
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide (CID 146138024) is N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide is CC(c1ccccc1)n1ccc(NC(=O)CNC(=O)N2CCCC2)n1.
What is the InChIKey of N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is DIMTXIXGOQSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(15-7-3-2-4-8-15)23-12-9-16(21-23)20-17(24)13-19-18(25)22-10-5-6-11-22/h2-4,7-9,12,14H,5-6,10-11,13H2,1H3,(H,19,25)(H,20,21,24).
What are the key properties of N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide?
N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146138024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).