2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide

C14H17BrN4O2S — CID 4776078

IUPAC2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(C)Cn2cc(Br)cn2)c(C(N)=O)c1C
InChIInChI=1S/C14H17BrN4O2S/c1-7(5-19-6-10(15)4-17-19)13(21)18-14-11(12(16)20)8(2)9(3)22-14/h4,6-7H,5H2,1-3H3,(H2,16,20)(H,18,21)
InChIKeyHAUBBPKNZJXRNJ-UHFFFAOYSA-N
MW385.29 g/mol
LogP2.70
Rot. Bonds5

About 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 4776078) has the molecular formula C14H17BrN4O2S and a molecular weight of 385.29 g/mol. Its IUPAC name is 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID4776078
Molecular FormulaC14H17BrN4O2S
Molecular Weight385.29 g/mol
Exact Mass384.03
IUPAC Name2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(C)Cn2cc(Br)cn2)c(C(N)=O)c1C
InChIInChI=1S/C14H17BrN4O2S/c1-7(5-19-6-10(15)4-17-19)13(21)18-14-11(12(16)20)8(2)9(3)22-14/h4,6-7H,5H2,1-3H3,(H2,16,20)(H,18,21)
InChIKeyHAUBBPKNZJXRNJ-UHFFFAOYSA-N
XLogP2.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19564622
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 35529843
propan-2-yl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19564607
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
CID 39735322
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018
3-(4-bromopyrazol-1-yl)-2-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19564680
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 19564609
3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19564640
(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528025

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 4776078) is 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)C(C)Cn2cc(Br)cn2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is HAUBBPKNZJXRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2S/c1-7(5-19-6-10(15)4-17-19)13(21)18-14-11(12(16)20)8(2)9(3)22-14/h4,6-7H,5H2,1-3H3,(H2,16,20)(H,18,21).
What are the key properties of 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 4776078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).