7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide

C22H21N3O4 — CID 4994962

IUPAC7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnn(CCOCc4ccccc4)c3)oc12
InChIInChI=1S/C22H21N3O4/c1-27-19-9-5-8-17-12-20(29-21(17)19)22(26)24-18-13-23-25(14-18)10-11-28-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,24,26)
InChIKeyKKNKKTLYRXTWBY-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.11
Rot. Bonds8

About 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 4994962) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide
PubChem CID4994962
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnn(CCOCc4ccccc4)c3)oc12
InChIInChI=1S/C22H21N3O4/c1-27-19-9-5-8-17-12-20(29-21(17)19)22(26)24-18-13-23-25(14-18)10-11-28-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,24,26)
InChIKeyKKNKKTLYRXTWBY-UHFFFAOYSA-N
XLogP4.11
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 3404846
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
3-chloro-4-methylsulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 3764669
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide
CID 3788448
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
1-[(3,4-dichlorophenyl)methyl]-3-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]urea
CID 5164506
5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 3857340
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide (CID 4994962) is 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cnn(CCOCc4ccccc4)c3)oc12.
What is the InChIKey of 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is KKNKKTLYRXTWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-27-19-9-5-8-17-12-20(29-21(17)19)22(26)24-18-13-23-25(14-18)10-11-28-15-16-6-3-2-4-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,24,26).
What are the key properties of 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4994962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).