5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide

C11H12BrN3O2 — CID 38608481

IUPAC5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrN3O2/c1-8(7-15-6-2-5-13-15)14-11(16)9-3-4-10(12)17-9/h2-6,8H,7H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyCQRMCHPPQHGDGX-MRVPVSSYSA-N
MW298.14 g/mol
LogP2.06
Rot. Bonds4

About 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide

5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide (PubChem CID 38608481) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
PubChem CID38608481
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrN3O2/c1-8(7-15-6-2-5-13-15)14-11(16)9-3-4-10(12)17-9/h2-6,8H,7H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyCQRMCHPPQHGDGX-MRVPVSSYSA-N
XLogP2.06
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
CID 129416601
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607203
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)furan-2-carboxamide
CID 51079611
3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38611766
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide (CID 38608481) is 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide is C[C@H](Cn1cccn1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide?
The InChIKey is CQRMCHPPQHGDGX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-8(7-15-6-2-5-13-15)14-11(16)9-3-4-10(12)17-9/h2-6,8H,7H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide?
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 38608481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).