2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide

C8H6BrN3O2 — CID 106852624

IUPAC2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccoc1Br
InChIInChI=1S/C8H6BrN3O2/c9-7-6(1-2-14-7)8(13)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,13)
InChIKeyTTZWFBFDMDOPCB-UHFFFAOYSA-N
MW256.06 g/mol
LogP2.02
Rot. Bonds2

About 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide

2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide (PubChem CID 106852624) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
PubChem CID106852624
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccoc1Br
InChIInChI=1S/C8H6BrN3O2/c9-7-6(1-2-14-7)8(13)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,13)
InChIKeyTTZWFBFDMDOPCB-UHFFFAOYSA-N
XLogP2.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 80980041
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
CID 106853299
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
2-bromo-N-thiophen-3-ylfuran-3-carboxamide
CID 106854104
2-bromo-N-(thiadiazol-5-yl)furan-3-carboxamide
CID 106854439
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide (CID 106852624) is 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide is O=C(Nc1cn[nH]c1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide?
The InChIKey is TTZWFBFDMDOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-7-6(1-2-14-7)8(13)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,13).
What are the key properties of 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide?
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide has a molecular weight of 256.06 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide is sourced from PubChem (CID 106852624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).