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

C20H22N4 — CID 82585997

IUPAC3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
SMILESCN1CCc2c(c(-c3cccc(N)c3)nn2Cc2ccccc2)C1
InChIInChI=1S/C20H22N4/c1-23-11-10-19-18(14-23)20(16-8-5-9-17(21)12-16)22-24(19)13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14,21H2,1H3
InChIKeyKMJZDVMKYNYDNQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.17
Rot. Bonds3

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

3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline (PubChem CID 82585997) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline.

Molecular Properties

Compound Name3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
PubChem CID82585997
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
SMILESCN1CCc2c(c(-c3cccc(N)c3)nn2Cc2ccccc2)C1
InChIInChI=1S/C20H22N4/c1-23-11-10-19-18(14-23)20(16-8-5-9-17(21)12-16)22-24(19)13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14,21H2,1H3
InChIKeyKMJZDVMKYNYDNQ-UHFFFAOYSA-N
XLogP3.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.17
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-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The IUPAC name of 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline (CID 82585997) is 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline.
What is the SMILES notation for 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The canonical SMILES for 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline is CN1CCc2c(c(-c3cccc(N)c3)nn2Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The InChIKey is KMJZDVMKYNYDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-11-10-19-18(14-23)20(16-8-5-9-17(21)12-16)22-24(19)13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14,21H2,1H3.
What are the key properties of 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline has a molecular weight of 318.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline is sourced from PubChem (CID 82585997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).