1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C22H23N5O2 — CID 55695718

IUPAC1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23N5O2/c28-21-3-1-14-27(21)20-10-8-19(9-11-20)25-22(29)23-15-17-4-6-18(7-5-17)16-26-13-2-12-24-26/h2,4-13H,1,3,14-16H2,(H2,23,25,29)
InChIKeyPOEBOFLVQKCLHY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.38
Rot. Bonds6

About 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 55695718) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID55695718
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23N5O2/c28-21-3-1-14-27(21)20-10-8-19(9-11-20)25-22(29)23-15-17-4-6-18(7-5-17)16-26-13-2-12-24-26/h2,4-13H,1,3,14-16H2,(H2,23,25,29)
InChIKeyPOEBOFLVQKCLHY-UHFFFAOYSA-N
XLogP3.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111413113
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine
CID 111414112
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111413408
1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987743
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 55695718) is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is POEBOFLVQKCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21-3-1-14-27(21)20-10-8-19(9-11-20)25-22(29)23-15-17-4-6-18(7-5-17)16-26-13-2-12-24-26/h2,4-13H,1,3,14-16H2,(H2,23,25,29).
What are the key properties of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 389.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55695718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).