N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C22H23N3O4 — CID 26401704

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)n[nH]1
InChIInChI=1S/C22H23N3O4/c1-25(13-17-11-15-7-3-4-8-19(15)29-17)22(26)18-12-16(23-24-18)14-28-21-10-6-5-9-20(21)27-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyUIPKASACRFYOOO-QGZVFWFLSA-N
MW393.44 g/mol
LogP3.07
Rot. Bonds7

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 26401704) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID26401704
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)n[nH]1
InChIInChI=1S/C22H23N3O4/c1-25(13-17-11-15-7-3-4-8-19(15)29-17)22(26)18-12-16(23-24-18)14-28-21-10-6-5-9-20(21)27-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyUIPKASACRFYOOO-QGZVFWFLSA-N
XLogP3.07
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
N-(2-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749610
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95123892
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024
N-[(2S)-2-hydroxybutyl]-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 95191354
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90652025
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56759334
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 56872415
5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42148026
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 30956722

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 26401704) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is COc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)n[nH]1.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is UIPKASACRFYOOO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25(13-17-11-15-7-3-4-8-19(15)29-17)22(26)18-12-16(23-24-18)14-28-21-10-6-5-9-20(21)27-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 26401704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).