N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide

C25H25N3O3 — CID 46042982

IUPACN-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
SMILESCc1cccc(-n2nc(C)c(CCC(=O)NCc3ccco3)c2Oc2ccccc2)c1
InChIInChI=1S/C25H25N3O3/c1-18-8-6-9-20(16-18)28-25(31-21-10-4-3-5-11-21)23(19(2)27-28)13-14-24(29)26-17-22-12-7-15-30-22/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29)
InChIKeyMZFBYRQRZBTFMQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.12
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide

N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide (PubChem CID 46042982) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
PubChem CID46042982
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
SMILESCc1cccc(-n2nc(C)c(CCC(=O)NCc3ccco3)c2Oc2ccccc2)c1
InChIInChI=1S/C25H25N3O3/c1-18-8-6-9-20(16-18)28-25(31-21-10-4-3-5-11-21)23(19(2)27-28)13-14-24(29)26-17-22-12-7-15-30-22/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29)
InChIKeyMZFBYRQRZBTFMQ-UHFFFAOYSA-N
XLogP5.12
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 46042389
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46042969
1-(furan-2-ylmethyl)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-propylurea
CID 51069394
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide
CID 42850660
3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 42850496
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide (CID 46042982) is N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide is Cc1cccc(-n2nc(C)c(CCC(=O)NCc3ccco3)c2Oc2ccccc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide?
The InChIKey is MZFBYRQRZBTFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18-8-6-9-20(16-18)28-25(31-21-10-4-3-5-11-21)23(19(2)27-28)13-14-24(29)26-17-22-12-7-15-30-22/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29).
What are the key properties of N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide?
N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide has a molecular weight of 415.49 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide is sourced from PubChem (CID 46042982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).