1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea

C15H17N5O2 — CID 167770760

IUPAC1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)Nc1cccc2c1CNC2=O
InChIInChI=1S/C15H17N5O2/c1-2-8-20-13(6-7-17-20)19-15(22)18-12-5-3-4-10-11(12)9-16-14(10)21/h3-7H,2,8-9H2,1H3,(H,16,21)(H2,18,19,22)
InChIKeyFASRYUIDOKAZAT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.18
Rot. Bonds4

About 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea

1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea (PubChem CID 167770760) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea
PubChem CID167770760
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)Nc1cccc2c1CNC2=O
InChIInChI=1S/C15H17N5O2/c1-2-8-20-13(6-7-17-20)19-15(22)18-12-5-3-4-10-11(12)9-16-14(10)21/h3-7H,2,8-9H2,1H3,(H,16,21)(H2,18,19,22)
InChIKeyFASRYUIDOKAZAT-UHFFFAOYSA-N
XLogP2.18
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea?
The IUPAC name of 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea (CID 167770760) is 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea is CCCn1nccc1NC(=O)Nc1cccc2c1CNC2=O.
What is the InChIKey of 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea?
The InChIKey is FASRYUIDOKAZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-8-20-13(6-7-17-20)19-15(22)18-12-5-3-4-10-11(12)9-16-14(10)21/h3-7H,2,8-9H2,1H3,(H,16,21)(H2,18,19,22).
What are the key properties of 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea?
1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea has a molecular weight of 299.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea is sourced from PubChem (CID 167770760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).