[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone

C12H9BrN4O2 — CID 892503

IUPAC[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)o1)n1cccn1
InChIInChI=1S/C12H9BrN4O2/c13-9-6-15-16(7-9)8-10-2-3-11(19-10)12(18)17-5-1-4-14-17/h1-7H,8H2
InChIKeySCGAHXDCDHCTNX-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.17
Rot. Bonds3

About [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone

[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone (PubChem CID 892503) has the molecular formula C12H9BrN4O2 and a molecular weight of 321.13 g/mol. Its IUPAC name is [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone
PubChem CID892503
Molecular FormulaC12H9BrN4O2
Molecular Weight321.13 g/mol
Exact Mass319.99
IUPAC Name[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)o1)n1cccn1
InChIInChI=1S/C12H9BrN4O2/c13-9-6-15-16(7-9)8-10-2-3-11(19-10)12(18)17-5-1-4-14-17/h1-7H,8H2
InChIKeySCGAHXDCDHCTNX-UHFFFAOYSA-N
XLogP2.17
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{5-[(4-fluorophenoxy)methyl]-2-furoyl}-1H-pyrazole
CID 3243758
5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-(2-furoyl)piperazine
CID 3243739
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4104826
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-(2,3,4,5,6-pentafluorobenzylidene)-2-furohydrazide
CID 6873479
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 840891
4-nitro-1-{[5-(1-pyrrolidinylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 844629
5-((4-Chloro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 921549
[5-(4-Chloro-pyrazol-1-ylmethyl)-furan-2-yl]-(4-methyl-piperazin-1-yl)-methanone
CID 24792477
N'-(4-bromobenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5433198
5-({4-bromo-3-nitro-1H-pyrazol-1-yl}methyl)-N'-[(5-methyl-2-furyl)methylene]-2-furohydrazide
CID 5434410
4-bromo-1-{5-[(4-fluorophenoxy)methyl]-2-furoyl}-1H-pyrazole
CID 1222676

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone (CID 892503) is [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone is O=C(c1ccc(Cn2cc(Br)cn2)o1)n1cccn1.
What is the InChIKey of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
The InChIKey is SCGAHXDCDHCTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2/c13-9-6-15-16(7-9)8-10-2-3-11(19-10)12(18)17-5-1-4-14-17/h1-7H,8H2.
What are the key properties of [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone has a molecular weight of 321.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 892503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).