(5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole

C12H13N3 — CID 124604592

IUPAC(5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cncc([C@@H]2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C12H13N3/c1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12/h1-2,5,7-9H,3-4,6H2,(H,14,15)/t9-/m1/s1
InChIKeyVIJOVWDOVFEQGZ-SECBINFHSA-N
MW199.26 g/mol
LogP2.08
Rot. Bonds1

About (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole

(5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 124604592) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID124604592
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cncc([C@@H]2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C12H13N3/c1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12/h1-2,5,7-9H,3-4,6H2,(H,14,15)/t9-/m1/s1
InChIKeyVIJOVWDOVFEQGZ-SECBINFHSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole (CID 124604592) is (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole is c1cncc([C@@H]2CCc3[nH]ncc3C2)c1.
What is the InChIKey of (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is VIJOVWDOVFEQGZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12/h1-2,5,7-9H,3-4,6H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole?
(5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 199.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 124604592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).