N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide

C19H23N3O3 — CID 97149577

IUPACN-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC[C@@H](C)n3nc(C)cc3C)oc2c1
InChIInChI=1S/C19H23N3O3/c1-11-8-12(2)22(21-11)13(3)10-20-19(23)18-14(4)16-7-6-15(24-5)9-17(16)25-18/h6-9,13H,10H2,1-5H3,(H,20,23)/t13-/m1/s1
InChIKeyDXWYSHNQALAYCR-CYBMUJFWSA-N
MW341.41 g/mol
LogP3.55
Rot. Bonds5

About N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 97149577) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID97149577
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC[C@@H](C)n3nc(C)cc3C)oc2c1
InChIInChI=1S/C19H23N3O3/c1-11-8-12(2)22(21-11)13(3)10-20-19(23)18-14(4)16-7-6-15(24-5)9-17(16)25-18/h6-9,13H,10H2,1-5H3,(H,20,23)/t13-/m1/s1
InChIKeyDXWYSHNQALAYCR-CYBMUJFWSA-N
XLogP3.55
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 51597055
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 92693235
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 50985285
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 92603054
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 19114549
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 40776130
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide
CID 34390006
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 96580245

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 97149577) is N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)NC[C@@H](C)n3nc(C)cc3C)oc2c1.
What is the InChIKey of N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DXWYSHNQALAYCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-8-12(2)22(21-11)13(3)10-20-19(23)18-14(4)16-7-6-15(24-5)9-17(16)25-18/h6-9,13H,10H2,1-5H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97149577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).