3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol

C13H23N3O — CID 14539780

IUPAC3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol
SMILESCCCN[C@@H]1Cc2cn[nH]c2C[C@H]1CCCO
InChIInChI=1S/C13H23N3O/c1-2-5-14-12-8-11-9-15-16-13(11)7-10(12)4-3-6-17/h9-10,12,14,17H,2-8H2,1H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyNVSKAXDWGLOUCO-ZYHUDNBSSA-N
MW237.35 g/mol
LogP1.27
Rot. Bonds6

About 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol

3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol (PubChem CID 14539780) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol
PubChem CID14539780
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol
SMILESCCCN[C@@H]1Cc2cn[nH]c2C[C@H]1CCCO
InChIInChI=1S/C13H23N3O/c1-2-5-14-12-8-11-9-15-16-13(11)7-10(12)4-3-6-17/h9-10,12,14,17H,2-8H2,1H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyNVSKAXDWGLOUCO-ZYHUDNBSSA-N
XLogP1.27
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol?
The IUPAC name of 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol (CID 14539780) is 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol.
What is the SMILES notation for 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol?
The canonical SMILES for 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol is CCCN[C@@H]1Cc2cn[nH]c2C[C@H]1CCCO.
What is the InChIKey of 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol?
The InChIKey is NVSKAXDWGLOUCO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-5-14-12-8-11-9-15-16-13(11)7-10(12)4-3-6-17/h9-10,12,14,17H,2-8H2,1H3,(H,15,16)/t10-,12-/m1/s1.
What are the key properties of 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol?
3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R,6R)-5-(propylamino)-4,5,6,7-tetrahydro-1H-indazol-6-yl]propan-1-ol is sourced from PubChem (CID 14539780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).