N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide

C18H23N3O4 — CID 8781434

IUPACN-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-23-14-10-12(11-15(24-2)17(14)25-3)18(22)20-16-8-9-19-21(16)13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,20,22)
InChIKeyFYXPVRVMYXUFDJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.28
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide

N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide (PubChem CID 8781434) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
PubChem CID8781434
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-23-14-10-12(11-15(24-2)17(14)25-3)18(22)20-16-8-9-19-21(16)13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,20,22)
InChIKeyFYXPVRVMYXUFDJ-UHFFFAOYSA-N
XLogP3.28
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55429489
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide
CID 75365018
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 24816610
methyl 3-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-5-nitrobenzoate
CID 51145863
N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
CID 51231002
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
CID 14638301
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide (CID 8781434) is N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OC.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is FYXPVRVMYXUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-14-10-12(11-15(24-2)17(14)25-3)18(22)20-16-8-9-19-21(16)13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,20,22).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide?
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 8781434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).