5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

C15H12BrN3O2 — CID 48834750

IUPAC5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O2/c16-14-7-6-13(21-14)15(20)17-10-11-4-1-2-5-12(11)19-9-3-8-18-19/h1-9H,10H2,(H,17,20)
InChIKeyCAOHFCVVCRTCFO-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.16
Rot. Bonds4

About 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 48834750) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
PubChem CID48834750
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O2/c16-14-7-6-13(21-14)15(20)17-10-11-4-1-2-5-12(11)19-9-3-8-18-19/h1-9H,10H2,(H,17,20)
InChIKeyCAOHFCVVCRTCFO-UHFFFAOYSA-N
XLogP3.16
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 136579374
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 46465244
(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 51095820
N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774
3-amino-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 77089996
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 131891106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (CID 48834750) is 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is O=C(NCc1ccccc1-n1cccn1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is CAOHFCVVCRTCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-14-7-6-13(21-14)15(20)17-10-11-4-1-2-5-12(11)19-9-3-8-18-19/h1-9H,10H2,(H,17,20).
What are the key properties of 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 48834750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).