3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

C25H25N3O2 — CID 4654374

IUPAC3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)n(-c3ccccc3)n2)o1
InChIInChI=1S/C25H25N3O2/c1-18(13-15-20-9-5-3-6-10-20)26-25(29)23-17-22(24-16-14-19(2)30-24)27-28(23)21-11-7-4-8-12-21/h3-12,14,16-18H,13,15H2,1-2H3,(H,26,29)
InChIKeyJQEINWIOYVIJHO-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.19
Rot. Bonds7

About 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (PubChem CID 4654374) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
PubChem CID4654374
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)n(-c3ccccc3)n2)o1
InChIInChI=1S/C25H25N3O2/c1-18(13-15-20-9-5-3-6-10-20)26-25(29)23-17-22(24-16-14-19(2)30-24)27-28(23)21-11-7-4-8-12-21/h3-12,14,16-18H,13,15H2,1-2H3,(H,26,29)
InChIKeyJQEINWIOYVIJHO-UHFFFAOYSA-N
XLogP5.19
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 7404675
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 7271587
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42755212
N-[(2R)-3-methylbutan-2-yl]-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 7236937

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (CID 4654374) is 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)n(-c3ccccc3)n2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The InChIKey is JQEINWIOYVIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18(13-15-20-9-5-3-6-10-20)26-25(29)23-17-22(24-16-14-19(2)30-24)27-28(23)21-11-7-4-8-12-21/h3-12,14,16-18H,13,15H2,1-2H3,(H,26,29).
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4654374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).