3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C20H26N4O — CID 121443451

IUPAC3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2Cc3c(C4CCCC4)n[nH]c3CC2C)c1
InChIInChI=1S/C20H26N4O/c1-13-6-5-9-16(10-13)21-20(25)24-12-17-18(11-14(24)2)22-23-19(17)15-7-3-4-8-15/h5-6,9-10,14-15H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQBASCZUSTHFMII-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.35
Rot. Bonds2

About 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121443451) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121443451
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2Cc3c(C4CCCC4)n[nH]c3CC2C)c1
InChIInChI=1S/C20H26N4O/c1-13-6-5-9-16(10-13)21-20(25)24-12-17-18(11-14(24)2)22-23-19(17)15-7-3-4-8-15/h5-6,9-10,14-15H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQBASCZUSTHFMII-UHFFFAOYSA-N
XLogP4.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121443451) is 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cccc(NC(=O)N2Cc3c(C4CCCC4)n[nH]c3CC2C)c1.
What is the InChIKey of 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QBASCZUSTHFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-6-5-9-16(10-13)21-20(25)24-12-17-18(11-14(24)2)22-23-19(17)15-7-3-4-8-15/h5-6,9-10,14-15H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121443451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).