5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide

C12H14BrN3O2 — CID 841537

IUPAC5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(Br)o2)c1C
InChIInChI=1S/C12H14BrN3O2/c1-4-16-8(3)11(7(2)15-16)14-12(17)9-5-6-10(13)18-9/h5-6H,4H2,1-3H3,(H,14,17)
InChIKeyCTJNPDPPVCGWCG-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.13
Rot. Bonds3

About 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide

5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 841537) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
PubChem CID841537
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(Br)o2)c1C
InChIInChI=1S/C12H14BrN3O2/c1-4-16-8(3)11(7(2)15-16)14-12(17)9-5-6-10(13)18-9/h5-6H,4H2,1-3H3,(H,14,17)
InChIKeyCTJNPDPPVCGWCG-UHFFFAOYSA-N
XLogP3.13
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
CID 118765939
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 91968599
4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19620454
5-[(4-bromophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337929
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
CID 130639181
3-bromo-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088711
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide (CID 841537) is 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide is CCn1nc(C)c(NC(=O)c2ccc(Br)o2)c1C.
What is the InChIKey of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is CTJNPDPPVCGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-4-16-8(3)11(7(2)15-16)14-12(17)9-5-6-10(13)18-9/h5-6H,4H2,1-3H3,(H,14,17).
What are the key properties of 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide?
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 841537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).