N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C23H21N3O3 — CID 55757071

IUPACN-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cn3cccn3)o2)cc1
InChIInChI=1S/C23H21N3O3/c1-28-20-10-8-19(9-11-20)26(16-18-6-3-2-4-7-18)23(27)22-13-12-21(29-22)17-25-15-5-14-24-25/h2-15H,16-17H2,1H3
InChIKeyNTDYJCMRHVPXFP-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.38
Rot. Bonds7

About N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 55757071) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID55757071
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cn3cccn3)o2)cc1
InChIInChI=1S/C23H21N3O3/c1-28-20-10-8-19(9-11-20)26(16-18-6-3-2-4-7-18)23(27)22-13-12-21(29-22)17-25-15-5-14-24-25/h2-15H,16-17H2,1H3
InChIKeyNTDYJCMRHVPXFP-UHFFFAOYSA-N
XLogP4.38
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(4-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 55646940
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43356187
N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 134012327
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646855
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18861230
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 35760199
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 46045640
N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 167873021

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 55757071) is N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cn3cccn3)o2)cc1.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is NTDYJCMRHVPXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-20-10-8-19(9-11-20)26(16-18-6-3-2-4-7-18)23(27)22-13-12-21(29-22)17-25-15-5-14-24-25/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 55757071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).