3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline

C16H22N4 — CID 82585989

IUPAC3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
SMILESCC(C)n1nc(-c2cccc(N)c2)c2c1CCN(C)C2
InChIInChI=1S/C16H22N4/c1-11(2)20-15-7-8-19(3)10-14(15)16(18-20)12-5-4-6-13(17)9-12/h4-6,9,11H,7-8,10,17H2,1-3H3
InChIKeyARPVLOULBVEUDO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.70
Rot. Bonds2

About 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline

3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline (PubChem CID 82585989) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline.

Molecular Properties

Compound Name3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
PubChem CID82585989
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
SMILESCC(C)n1nc(-c2cccc(N)c2)c2c1CCN(C)C2
InChIInChI=1S/C16H22N4/c1-11(2)20-15-7-8-19(3)10-14(15)16(18-20)12-5-4-6-13(17)9-12/h4-6,9,11H,7-8,10,17H2,1-3H3
InChIKeyARPVLOULBVEUDO-UHFFFAOYSA-N
XLogP2.70
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The IUPAC name of 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline (CID 82585989) is 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline.
What is the SMILES notation for 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The canonical SMILES for 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline is CC(C)n1nc(-c2cccc(N)c2)c2c1CCN(C)C2.
What is the InChIKey of 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The InChIKey is ARPVLOULBVEUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)20-15-7-8-19(3)10-14(15)16(18-20)12-5-4-6-13(17)9-12/h4-6,9,11H,7-8,10,17H2,1-3H3.
What are the key properties of 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline has a molecular weight of 270.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline is sourced from PubChem (CID 82585989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).