5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one

C18H21N5O — CID 58935898

IUPAC5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(C3CCC(Nc4cc(C5CC5)[nH]n4)C3)cc12
InChIInChI=1S/C18H21N5O/c24-18-14-8-12(4-6-15(14)20-23-18)11-3-5-13(7-11)19-17-9-16(21-22-17)10-1-2-10/h4,6,8-11,13H,1-3,5,7H2,(H2,19,21,22)(H2,20,23,24)
InChIKeyFJGLBXOOKMDJDC-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.20
Rot. Bonds4

About 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one

5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one (PubChem CID 58935898) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one
PubChem CID58935898
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(C3CCC(Nc4cc(C5CC5)[nH]n4)C3)cc12
InChIInChI=1S/C18H21N5O/c24-18-14-8-12(4-6-15(14)20-23-18)11-3-5-13(7-11)19-17-9-16(21-22-17)10-1-2-10/h4,6,8-11,13H,1-3,5,7H2,(H2,19,21,22)(H2,20,23,24)
InChIKeyFJGLBXOOKMDJDC-UHFFFAOYSA-N
XLogP3.20
TPSA89.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one (CID 58935898) is 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2ccc(C3CCC(Nc4cc(C5CC5)[nH]n4)C3)cc12.
What is the InChIKey of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one?
The InChIKey is FJGLBXOOKMDJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18-14-8-12(4-6-15(14)20-23-18)11-3-5-13(7-11)19-17-9-16(21-22-17)10-1-2-10/h4,6,8-11,13H,1-3,5,7H2,(H2,19,21,22)(H2,20,23,24).
What are the key properties of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one?
5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one has a molecular weight of 323.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).