3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide

C16H14BrN3O2 — CID 99818350

IUPAC3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1occc1Br
InChIInChI=1S/C16H14BrN3O2/c1-10-14(18-16(21)15-13(17)8-9-22-15)11(2)20(19-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,21)
InChIKeyUXDMPTJHDIPDKJ-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.10
Rot. Bonds3

About 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide

3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 99818350) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide
PubChem CID99818350
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1occc1Br
InChIInChI=1S/C16H14BrN3O2/c1-10-14(18-16(21)15-13(17)8-9-22-15)11(2)20(19-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,21)
InChIKeyUXDMPTJHDIPDKJ-UHFFFAOYSA-N
XLogP4.10
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[(3-bromofuran-2-carbonyl)amino]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 100640859
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 16575231
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780903
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide (CID 99818350) is 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1occc1Br.
What is the InChIKey of 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is UXDMPTJHDIPDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-10-14(18-16(21)15-13(17)8-9-22-15)11(2)20(19-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,21).
What are the key properties of 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide?
3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 99818350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).