N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide

C22H24N4O — CID 90555890

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-16-9-11-17(12-10-16)22(27)24-15-18-14-21(20-8-4-5-13-23-20)26(25-18)19-6-2-3-7-19/h4-5,8-14,19H,2-3,6-7,15H2,1H3,(H,24,27)
InChIKeyYRINEQAYCFAVNE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.30
Rot. Bonds5

About N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide (PubChem CID 90555890) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
PubChem CID90555890
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-16-9-11-17(12-10-16)22(27)24-15-18-14-21(20-8-4-5-13-23-20)26(25-18)19-6-2-3-7-19/h4-5,8-14,19H,2-3,6-7,15H2,1H3,(H,24,27)
InChIKeyYRINEQAYCFAVNE-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide (CID 90555890) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide?
The InChIKey is YRINEQAYCFAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-9-11-17(12-10-16)22(27)24-15-18-14-21(20-8-4-5-13-23-20)26(25-18)19-6-2-3-7-19/h4-5,8-14,19H,2-3,6-7,15H2,1H3,(H,24,27).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 90555890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).