1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

C16H20N4 — CID 121365312

IUPAC1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCc1cccc(Nc2nn(C3CC3)c3c2CNCC3)c1
InChIInChI=1S/C16H20N4/c1-11-3-2-4-12(9-11)18-16-14-10-17-8-7-15(14)20(19-16)13-5-6-13/h2-4,9,13,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyAYYQRUPEPZQCGC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.92
Rot. Bonds3

About 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (PubChem CID 121365312) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
PubChem CID121365312
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCc1cccc(Nc2nn(C3CC3)c3c2CNCC3)c1
InChIInChI=1S/C16H20N4/c1-11-3-2-4-12(9-11)18-16-14-10-17-8-7-15(14)20(19-16)13-5-6-13/h2-4,9,13,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyAYYQRUPEPZQCGC-UHFFFAOYSA-N
XLogP2.92
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (CID 121365312) is 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is Cc1cccc(Nc2nn(C3CC3)c3c2CNCC3)c1.
What is the InChIKey of 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is AYYQRUPEPZQCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-3-2-4-12(9-11)18-16-14-10-17-8-7-15(14)20(19-16)13-5-6-13/h2-4,9,13,17H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 121365312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).