N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide

C18H21N3O3 — CID 50965536

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)cn1
InChIInChI=1S/C18H21N3O3/c1-5-21-11-13(9-19-21)10-20(3)18(22)17-12(2)15-7-6-14(23-4)8-16(15)24-17/h6-9,11H,5,10H2,1-4H3
InChIKeyTWYREQGHHGATOB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.24
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 50965536) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID50965536
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)cn1
InChIInChI=1S/C18H21N3O3/c1-5-21-11-13(9-19-21)10-20(3)18(22)17-12(2)15-7-6-14(23-4)8-16(15)24-17/h6-9,11H,5,10H2,1-4H3
InChIKeyTWYREQGHHGATOB-UHFFFAOYSA-N
XLogP3.24
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 50965536) is N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is CCn1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is TWYREQGHHGATOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-5-21-11-13(9-19-21)10-20(3)18(22)17-12(2)15-7-6-14(23-4)8-16(15)24-17/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50965536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).