5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide

C16H21BrN4O3 — CID 55834377

IUPAC5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C16H21BrN4O3/c1-10(9-21-12(3)6-11(2)20-21)7-18-15(22)8-19-16(23)13-4-5-14(17)24-13/h4-6,10H,7-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyOMRBKPWEAQHWFT-UHFFFAOYSA-N
MW397.27 g/mol
LogP2.04
Rot. Bonds7

About 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 55834377) has the molecular formula C16H21BrN4O3 and a molecular weight of 397.27 g/mol. Its IUPAC name is 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID55834377
Molecular FormulaC16H21BrN4O3
Molecular Weight397.27 g/mol
Exact Mass396.08
IUPAC Name5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C16H21BrN4O3/c1-10(9-21-12(3)6-11(2)20-21)7-18-15(22)8-19-16(23)13-4-5-14(17)24-13/h4-6,10H,7-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyOMRBKPWEAQHWFT-UHFFFAOYSA-N
XLogP2.04
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 94003270
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 94028959
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
2-(carbamoylamino)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 125172003
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 55834377) is 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)CNC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is OMRBKPWEAQHWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O3/c1-10(9-21-12(3)6-11(2)20-21)7-18-15(22)8-19-16(23)13-4-5-14(17)24-13/h4-6,10H,7-9H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55834377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).