1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea

C18H23N5O2 — CID 47050882

IUPAC1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCC(CN1CCCC1=O)NC(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C18H23N5O2/c1-14(12-22-10-4-8-17(22)24)20-18(25)21-16-7-3-2-6-15(16)13-23-11-5-9-19-23/h2-3,5-7,9,11,14H,4,8,10,12-13H2,1H3,(H2,20,21,25)
InChIKeyFSINUTYRSDEETK-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.06
Rot. Bonds6

About 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea

1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 47050882) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID47050882
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCC(CN1CCCC1=O)NC(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C18H23N5O2/c1-14(12-22-10-4-8-17(22)24)20-18(25)21-16-7-3-2-6-15(16)13-23-11-5-9-19-23/h2-3,5-7,9,11,14H,4,8,10,12-13H2,1H3,(H2,20,21,25)
InChIKeyFSINUTYRSDEETK-UHFFFAOYSA-N
XLogP2.06
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea (CID 47050882) is 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea is CC(CN1CCCC1=O)NC(=O)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is FSINUTYRSDEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(12-22-10-4-8-17(22)24)20-18(25)21-16-7-3-2-6-15(16)13-23-11-5-9-19-23/h2-3,5-7,9,11,14H,4,8,10,12-13H2,1H3,(H2,20,21,25).
What are the key properties of 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 341.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 47050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).