N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide

C17H21N3O2 — CID 134796642

IUPACN-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)cc1
InChIInChI=1S/C17H21N3O2/c1-20-16(11-15(19-20)12-5-3-4-6-12)18-17(21)13-7-9-14(22-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,21)
InChIKeyZDDSAGRBSWCZFZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.34
Rot. Bonds4

About N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide (PubChem CID 134796642) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide
PubChem CID134796642
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)cc1
InChIInChI=1S/C17H21N3O2/c1-20-16(11-15(19-20)12-5-3-4-6-12)18-17(21)13-7-9-14(22-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,21)
InChIKeyZDDSAGRBSWCZFZ-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide?
The IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide (CID 134796642) is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)cc1.
What is the InChIKey of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide?
The InChIKey is ZDDSAGRBSWCZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-16(11-15(19-20)12-5-3-4-6-12)18-17(21)13-7-9-14(22-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,18,21).
What are the key properties of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide?
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 134796642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).