5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide

C15H20BrN3O2 — CID 3239894

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br
InChIInChI=1S/C15H20BrN3O2/c1-9-13(16)10(2)19(18-9)8-11-6-7-12(21-11)14(20)17-15(3,4)5/h6-7H,8H2,1-5H3,(H,17,20)
InChIKeyORAPBDKNXVSWCU-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.43
Rot. Bonds3

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide (PubChem CID 3239894) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide
PubChem CID3239894
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br
InChIInChI=1S/C15H20BrN3O2/c1-9-13(16)10(2)19(18-9)8-11-6-7-12(21-11)14(20)17-15(3,4)5/h6-7H,8H2,1-5H3,(H,17,20)
InChIKeyORAPBDKNXVSWCU-UHFFFAOYSA-N
XLogP3.43
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 931585
5-bromo-N'-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
CID 6880083
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
CID 1017805
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
4-bromo-1-(2-furoyl)-3,5-dimethyl-1H-pyrazole
CID 672849
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)-2-furamide
CID 831746

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide (CID 3239894) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide is Cc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide?
The InChIKey is ORAPBDKNXVSWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-9-13(16)10(2)19(18-9)8-11-6-7-12(21-11)14(20)17-15(3,4)5/h6-7H,8H2,1-5H3,(H,17,20).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-tert-butylfuran-2-carboxamide is sourced from PubChem (CID 3239894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).