N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C19H20N4O2 — CID 53185519

IUPACN-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(-c2n[nH]c3c2CN(C(=O)NCc2ccco2)CC3)cc1
InChIInChI=1S/C19H20N4O2/c1-13-4-6-14(7-5-13)18-16-12-23(9-8-17(16)21-22-18)19(24)20-11-15-3-2-10-25-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyNVGLZFMYFKWWHE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.25
Rot. Bonds3

About N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53185519) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53185519
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(-c2n[nH]c3c2CN(C(=O)NCc2ccco2)CC3)cc1
InChIInChI=1S/C19H20N4O2/c1-13-4-6-14(7-5-13)18-16-12-23(9-8-17(16)21-22-18)19(24)20-11-15-3-2-10-25-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyNVGLZFMYFKWWHE-UHFFFAOYSA-N
XLogP3.25
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 53185519) is N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(-c2n[nH]c3c2CN(C(=O)NCc2ccco2)CC3)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is NVGLZFMYFKWWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-4-6-14(7-5-13)18-16-12-23(9-8-17(16)21-22-18)19(24)20-11-15-3-2-10-25-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53185519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).