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

C24H28N4O2 — CID 90555323

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-17(2)30-22-9-7-19(8-10-22)24(29)26-16-20-15-23(18-11-13-25-14-12-18)28(27-20)21-5-3-4-6-21/h7-15,17,21H,3-6,16H2,1-2H3,(H,26,29)
InChIKeyVZERLUJJJHJLDW-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.78
Rot. Bonds7

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 90555323) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID90555323
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-17(2)30-22-9-7-19(8-10-22)24(29)26-16-20-15-23(18-11-13-25-14-12-18)28(27-20)21-5-3-4-6-21/h7-15,17,21H,3-6,16H2,1-2H3,(H,26,29)
InChIKeyVZERLUJJJHJLDW-UHFFFAOYSA-N
XLogP4.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 90555283
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide
CID 90555403
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide
CID 90555329
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 90555360
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
CID 90555288
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide
CID 97104829
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 90555550
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555343

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide (CID 90555323) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is VZERLUJJJHJLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17(2)30-22-9-7-19(8-10-22)24(29)26-16-20-15-23(18-11-13-25-14-12-18)28(27-20)21-5-3-4-6-21/h7-15,17,21H,3-6,16H2,1-2H3,(H,26,29).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 90555323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).