N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide

C23H21N3O4 — CID 4597615

IUPACN-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)n(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H21N3O4/c1-28-18-9-5-16(6-10-18)21-14-22(23(27)24-15-20-4-3-13-30-20)26(25-21)17-7-11-19(29-2)12-8-17/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyQYRZLKHNLOJPQZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.08
Rot. Bonds7

About N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 4597615) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID4597615
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)n(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H21N3O4/c1-28-18-9-5-16(6-10-18)21-14-22(23(27)24-15-20-4-3-13-30-20)26(25-21)17-7-11-19(29-2)12-8-17/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyQYRZLKHNLOJPQZ-UHFFFAOYSA-N
XLogP4.08
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3967292
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
N-(furan-2-ylmethyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270020
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
CID 71791372
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide (CID 4597615) is N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccco3)n(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is QYRZLKHNLOJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-18-9-5-16(6-10-18)21-14-22(23(27)24-15-20-4-3-13-30-20)26(25-21)17-7-11-19(29-2)12-8-17/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4597615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).