3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline

C13H16N4 — CID 105485912

IUPAC3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
SMILESCc1nn(-c2cccc(N)c2)c2c1CCNC2
InChIInChI=1S/C13H16N4/c1-9-12-5-6-15-8-13(12)17(16-9)11-4-2-3-10(14)7-11/h2-4,7,15H,5-6,8,14H2,1H3
InChIKeyQXQHIUSTXIITOE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.41
Rot. Bonds1

About 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline

3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline (PubChem CID 105485912) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline.

Molecular Properties

Compound Name3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
PubChem CID105485912
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
SMILESCc1nn(-c2cccc(N)c2)c2c1CCNC2
InChIInChI=1S/C13H16N4/c1-9-12-5-6-15-8-13(12)17(16-9)11-4-2-3-10(14)7-11/h2-4,7,15H,5-6,8,14H2,1H3
InChIKeyQXQHIUSTXIITOE-UHFFFAOYSA-N
XLogP1.41
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105485921
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
3-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481976
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline
CID 105467862
3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586522
1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868837
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586524
1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586494
1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 84647310
3-(5-methylpyrazol-1-yl)aniline
CID 43154912
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline?
The IUPAC name of 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline (CID 105485912) is 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline.
What is the SMILES notation for 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline?
The canonical SMILES for 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline is Cc1nn(-c2cccc(N)c2)c2c1CCNC2.
What is the InChIKey of 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline?
The InChIKey is QXQHIUSTXIITOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-12-5-6-15-8-13(12)17(16-9)11-4-2-3-10(14)7-11/h2-4,7,15H,5-6,8,14H2,1H3.
What are the key properties of 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline?
3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline has a molecular weight of 228.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline is sourced from PubChem (CID 105485912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).