1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea

C18H21N5O2 — CID 136514487

IUPAC1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
SMILESO=C(Nc1ccccc1N1CCCC1=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C18H21N5O2/c24-17-6-3-9-23(17)16-5-2-1-4-14(16)21-18(25)20-13-8-7-12-11-19-22-15(12)10-13/h1-2,4-5,11,13H,3,6-10H2,(H,19,22)(H2,20,21,25)
InChIKeyCMVQDLZXOJHGCY-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.22
Rot. Bonds3

About 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea

1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea (PubChem CID 136514487) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
PubChem CID136514487
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
SMILESO=C(Nc1ccccc1N1CCCC1=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C18H21N5O2/c24-17-6-3-9-23(17)16-5-2-1-4-14(16)21-18(25)20-13-8-7-12-11-19-22-15(12)10-13/h1-2,4-5,11,13H,3,6-10H2,(H,19,22)(H2,20,21,25)
InChIKeyCMVQDLZXOJHGCY-UHFFFAOYSA-N
XLogP2.22
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55699121
1-(1-pyridin-2-ylpiperidin-4-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 127461155
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124860523
1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 136584840
2-(2-fluorophenyl)-2-morpholin-4-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 127463357
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
2-(4-hydroxypiperidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41335965

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
The IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea (CID 136514487) is 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea.
What is the SMILES notation for 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
The canonical SMILES for 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea is O=C(Nc1ccccc1N1CCCC1=O)NC1CCc2cn[nH]c2C1.
What is the InChIKey of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
The InChIKey is CMVQDLZXOJHGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-6-3-9-23(17)16-5-2-1-4-14(16)21-18(25)20-13-8-7-12-11-19-22-15(12)10-13/h1-2,4-5,11,13H,3,6-10H2,(H,19,22)(H2,20,21,25).
What are the key properties of 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea has a molecular weight of 339.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea is sourced from PubChem (CID 136514487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).