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

C18H23N5O2 — CID 94174304

IUPAC1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESC[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H23N5O2/c1-14(12-22-9-3-7-17(22)24)20-18(25)21-16-6-2-5-15(11-16)13-23-10-4-8-19-23/h2,4-6,8,10-11,14H,3,7,9,12-13H2,1H3,(H2,20,21,25)/t14-/m1/s1
InChIKeyUIMKYNJVVUFFRR-CQSZACIVSA-N
MW341.42 g/mol
LogP2.06
Rot. Bonds6

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

1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 94174304) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID94174304
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESC[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H23N5O2/c1-14(12-22-9-3-7-17(22)24)20-18(25)21-16-6-2-5-15(11-16)13-23-10-4-8-19-23/h2,4-6,8,10-11,14H,3,7,9,12-13H2,1H3,(H2,20,21,25)/t14-/m1/s1
InChIKeyUIMKYNJVVUFFRR-CQSZACIVSA-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 ≤ 500341.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea
CID 52512018
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95314566
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111120548
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-thiophen-2-ylethynyl)phenyl]urea
CID 47050855
1-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95152001
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (CID 94174304) is 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is UIMKYNJVVUFFRR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(12-22-9-3-7-17(22)24)20-18(25)21-16-6-2-5-15(11-16)13-23-10-4-8-19-23/h2,4-6,8,10-11,14H,3,7,9,12-13H2,1H3,(H2,20,21,25)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 341.42 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-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 94174304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).