3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one

C15H15N3O — CID 22732696

IUPAC3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1c(C1CC1)nn2-c1ccccn1
InChIInChI=1S/C15H15N3O/c19-12-5-3-4-11-14(12)15(10-7-8-10)17-18(11)13-6-1-2-9-16-13/h1-2,6,9-10H,3-5,7-8H2
InChIKeyYOIOQYLSHJVRHA-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.66
Rot. Bonds2

About 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one

3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 22732696) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID22732696
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1c(C1CC1)nn2-c1ccccn1
InChIInChI=1S/C15H15N3O/c19-12-5-3-4-11-14(12)15(10-7-8-10)17-18(11)13-6-1-2-9-16-13/h1-2,6,9-10H,3-5,7-8H2
InChIKeyYOIOQYLSHJVRHA-UHFFFAOYSA-N
XLogP2.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (CID 22732696) is 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1c(C1CC1)nn2-c1ccccn1.
What is the InChIKey of 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is YOIOQYLSHJVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-12-5-3-4-11-14(12)15(10-7-8-10)17-18(11)13-6-1-2-9-16-13/h1-2,6,9-10H,3-5,7-8H2.
What are the key properties of 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 253.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 22732696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).