N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide

C23H25N3O2 — CID 55810206

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1ccccc1OC1CCCC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H25N3O2/c27-23(19-12-10-18(11-13-19)17-26-15-5-14-25-26)24-16-20-6-1-4-9-22(20)28-21-7-2-3-8-21/h1,4-6,9-15,21H,2-3,7-8,16-17H2,(H,24,27)
InChIKeyWBPQJCPJMRNNSQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.18
Rot. Bonds7

About N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 55810206) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID55810206
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1ccccc1OC1CCCC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H25N3O2/c27-23(19-12-10-18(11-13-19)17-26-15-5-14-25-26)24-16-20-6-1-4-9-22(20)28-21-7-2-3-8-21/h1,4-6,9-15,21H,2-3,7-8,16-17H2,(H,24,27)
InChIKeyWBPQJCPJMRNNSQ-UHFFFAOYSA-N
XLogP4.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
4-(1,3-dithiolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560815
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55455859
2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 146113876
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55594865

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 55810206) is N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide is O=C(NCc1ccccc1OC1CCCC1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is WBPQJCPJMRNNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(19-12-10-18(11-13-19)17-26-15-5-14-25-26)24-16-20-6-1-4-9-22(20)28-21-7-2-3-8-21/h1,4-6,9-15,21H,2-3,7-8,16-17H2,(H,24,27).
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55810206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).