N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide

C17H23N3O3 — CID 51248422

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccnn1Cc1cccc(OC)c1OC
InChIInChI=1S/C17H23N3O3/c1-4-5-9-16(21)19-15-10-11-18-20(15)12-13-7-6-8-14(22-2)17(13)23-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,21)
InChIKeyMXEOEMWFWDIXAB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.08
Rot. Bonds8

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide (PubChem CID 51248422) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
PubChem CID51248422
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccnn1Cc1cccc(OC)c1OC
InChIInChI=1S/C17H23N3O3/c1-4-5-9-16(21)19-15-10-11-18-20(15)12-13-7-6-8-14(22-2)17(13)23-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,21)
InChIKeyMXEOEMWFWDIXAB-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
CID 55687161
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 43033842
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 43033841
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55461115
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55434837
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide (CID 51248422) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide is CCCCC(=O)Nc1ccnn1Cc1cccc(OC)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The InChIKey is MXEOEMWFWDIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-5-9-16(21)19-15-10-11-18-20(15)12-13-7-6-8-14(22-2)17(13)23-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide has a molecular weight of 317.39 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide is sourced from PubChem (CID 51248422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).