2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide

C14H10BrN3O2 — CID 106853299

IUPAC2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)c1ccoc1Br
InChIInChI=1S/C14H10BrN3O2/c15-13-11(6-8-20-13)14(19)17-10-3-1-9(2-4-10)12-5-7-16-18-12/h1-8H,(H,16,18)(H,17,19)
InChIKeyTWKPKACIQRKBDY-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.68
Rot. Bonds3

About 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide

2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide (PubChem CID 106853299) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
PubChem CID106853299
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)c1ccoc1Br
InChIInChI=1S/C14H10BrN3O2/c15-13-11(6-8-20-13)14(19)17-10-3-1-9(2-4-10)12-5-7-16-18-12/h1-8H,(H,16,18)(H,17,19)
InChIKeyTWKPKACIQRKBDY-UHFFFAOYSA-N
XLogP3.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide
CID 106853025
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763782
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
2-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-5-carboxamide
CID 167990722
N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
CID 61284929
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 78895551
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide (CID 106853299) is 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide is O=C(Nc1ccc(-c2ccn[nH]2)cc1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide?
The InChIKey is TWKPKACIQRKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-13-11(6-8-20-13)14(19)17-10-3-1-9(2-4-10)12-5-7-16-18-12/h1-8H,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide?
2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106853299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).