5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide

C19H25BrN4O3 — CID 86961074

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)C1
InChIInChI=1S/C19H25BrN4O3/c1-12(2)22-18(25)13-4-3-5-15(8-13)23-19(26)17-7-6-16(27-17)11-24-10-14(20)9-21-24/h6-7,9-10,12-13,15H,3-5,8,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNPNRYKCSJYXYHA-UHFFFAOYSA-N
MW437.34 g/mol
LogP3.10
Rot. Bonds6

About 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide (PubChem CID 86961074) has the molecular formula C19H25BrN4O3 and a molecular weight of 437.34 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide
PubChem CID86961074
Molecular FormulaC19H25BrN4O3
Molecular Weight437.34 g/mol
Exact Mass436.11
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)C1
InChIInChI=1S/C19H25BrN4O3/c1-12(2)22-18(25)13-4-3-5-15(8-13)23-19(26)17-7-6-16(27-17)11-24-10-14(20)9-21-24/h6-7,9-10,12-13,15H,3-5,8,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNPNRYKCSJYXYHA-UHFFFAOYSA-N
XLogP3.10
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 56725942
5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide
CID 86961455
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
(2S)-1-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 124702289
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 35334159
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
N-(4-tert-butylcyclohexyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19575442
5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 29096511
4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
CID 95756450

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide (CID 86961074) is 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide is CC(C)NC(=O)C1CCCC(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)C1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide?
The InChIKey is NPNRYKCSJYXYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O3/c1-12(2)22-18(25)13-4-3-5-15(8-13)23-19(26)17-7-6-16(27-17)11-24-10-14(20)9-21-24/h6-7,9-10,12-13,15H,3-5,8,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide has a molecular weight of 437.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 86961074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).