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

C12H14N4 — CID 105467862

IUPAC3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline
SMILESNc1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C12H14N4/c13-10-2-1-3-11(6-10)16-12-4-5-14-7-9(12)8-15-16/h1-3,6,8,14H,4-5,7,13H2
InChIKeyMXNQTGWONIDYHG-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.10
Rot. Bonds1

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

3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline (PubChem CID 105467862) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline
PubChem CID105467862
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline
SMILESNc1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C12H14N4/c13-10-2-1-3-11(6-10)16-12-4-5-14-7-9(12)8-15-16/h1-3,6,8,14H,4-5,7,13H2
InChIKeyMXNQTGWONIDYHG-UHFFFAOYSA-N
XLogP1.10
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.10
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

1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586425
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde
CID 105484597
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82586390
1-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 84679841
3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
CID 105485912
3-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzoic acid
CID 105486390
1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586398
5-amino-1-(3-aminophenyl)pyrazole-4-carboxamide
CID 58110948
6-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)pyridine-3-carbonitrile
CID 118188991
2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105452879
1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904563
1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 172814301

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline?
The IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline (CID 105467862) is 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline.
What is the SMILES notation for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline?
The canonical SMILES for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline is Nc1cccc(-n2ncc3c2CCNC3)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline?
The InChIKey is MXNQTGWONIDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-10-2-1-3-11(6-10)16-12-4-5-14-7-9(12)8-15-16/h1-3,6,8,14H,4-5,7,13H2.
What are the key properties of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline?
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline has a molecular weight of 214.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline is sourced from PubChem (CID 105467862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).