1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea

C15H15N5O2 — CID 5330578

IUPAC1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccn[nH]1)Nc1cccc2c1[C@@H]1CCCN1C2=O
InChIInChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m0/s1
InChIKeyYJZMVKNIYBWAKD-NSHDSACASA-N
MW297.32 g/mol
LogP2.34
Rot. Bonds2

About 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea

1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea (PubChem CID 5330578) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea
PubChem CID5330578
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccn[nH]1)Nc1cccc2c1[C@@H]1CCCN1C2=O
InChIInChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m0/s1
InChIKeyYJZMVKNIYBWAKD-NSHDSACASA-N
XLogP2.34
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea (CID 5330578) is 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea is O=C(Nc1ccn[nH]1)Nc1cccc2c1[C@@H]1CCCN1C2=O.
What is the InChIKey of 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea?
The InChIKey is YJZMVKNIYBWAKD-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m0/s1.
What are the key properties of 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea?
1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea has a molecular weight of 297.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 5330578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).