1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea

C18H23N5O2 — CID 97435504

IUPAC1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESCCN1C[C@H](CN(C)C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1=O
InChIInChI=1S/C18H23N5O2/c1-3-23-12-13(9-17(23)24)11-22(2)18(25)20-15-6-4-5-14(10-15)16-7-8-19-21-16/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,19,21)(H,20,25)/t13-/m0/s1
InChIKeyYFRLQRPIPRKKQS-ZDUSSCGKSA-N
MW341.42 g/mol
LogP2.41
Rot. Bonds5

About 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea

1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 97435504) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID97435504
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESCCN1C[C@H](CN(C)C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1=O
InChIInChI=1S/C18H23N5O2/c1-3-23-12-13(9-17(23)24)11-22(2)18(25)20-15-6-4-5-14(10-15)16-7-8-19-21-16/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,19,21)(H,20,25)/t13-/m0/s1
InChIKeyYFRLQRPIPRKKQS-ZDUSSCGKSA-N
XLogP2.41
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea (CID 97435504) is 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea is CCN1C[C@H](CN(C)C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1=O.
What is the InChIKey of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is YFRLQRPIPRKKQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-23-12-13(9-17(23)24)11-22(2)18(25)20-15-6-4-5-14(10-15)16-7-8-19-21-16/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,19,21)(H,20,25)/t13-/m0/s1.
What are the key properties of 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 341.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 97435504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).