3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

C21H19N3O3 — CID 51114297

IUPAC3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2ccccc12
InChIInChI=1S/C21H19N3O3/c1-26-14-17-16-8-3-5-10-19(16)27-20(17)21(25)23-18-9-4-2-7-15(18)13-24-12-6-11-22-24/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyRCFDUIWEHFLTMD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.08
Rot. Bonds6

About 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 51114297) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID51114297
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2ccccc12
InChIInChI=1S/C21H19N3O3/c1-26-14-17-16-8-3-5-10-19(16)27-20(17)21(25)23-18-9-4-2-7-15(18)13-24-12-6-11-22-24/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyRCFDUIWEHFLTMD-UHFFFAOYSA-N
XLogP4.08
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95342641

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 51114297) is 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is RCFDUIWEHFLTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-14-17-16-8-3-5-10-19(16)27-20(17)21(25)23-18-9-4-2-7-15(18)13-24-12-6-11-22-24/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51114297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).