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

C21H21BrN4O — CID 90556015

IUPAC4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C21H21BrN4O/c22-16-10-8-15(9-11-16)21(27)24-14-17-13-20(19-7-3-4-12-23-19)26(25-17)18-5-1-2-6-18/h3-4,7-13,18H,1-2,5-6,14H2,(H,24,27)
InChIKeyUNDXYUYZPANYTO-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.75
Rot. Bonds5

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

4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide (PubChem CID 90556015) has the molecular formula C21H21BrN4O and a molecular weight of 425.33 g/mol. Its IUPAC name is 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
PubChem CID90556015
Molecular FormulaC21H21BrN4O
Molecular Weight425.33 g/mol
Exact Mass424.09
IUPAC Name4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C21H21BrN4O/c22-16-10-8-15(9-11-16)21(27)24-14-17-13-20(19-7-3-4-12-23-19)26(25-17)18-5-1-2-6-18/h3-4,7-13,18H,1-2,5-6,14H2,(H,24,27)
InChIKeyUNDXYUYZPANYTO-UHFFFAOYSA-N
XLogP4.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide
CID 90555885
3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555898
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 90555911
1-(1-adamantyl)-3-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90556216
2-chloro-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 90556018
2-chloro-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 90556020
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555989
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 90555944
1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 90556044
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90556050

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide (CID 90556015) is 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide is O=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
The InChIKey is UNDXYUYZPANYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O/c22-16-10-8-15(9-11-16)21(27)24-14-17-13-20(19-7-3-4-12-23-19)26(25-17)18-5-1-2-6-18/h3-4,7-13,18H,1-2,5-6,14H2,(H,24,27).
What are the key properties of 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide?
4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide has a molecular weight of 425.33 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 90556015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).