2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide

C15H19BrN4O2S — CID 17022302

IUPAC2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(C)n2ncc(Br)c2C)c1C(N)=O
InChIInChI=1S/C15H19BrN4O2S/c1-5-10-9(4)23-15(12(10)13(17)21)19-14(22)8(3)20-7(2)11(16)6-18-20/h6,8H,5H2,1-4H3,(H2,17,21)(H,19,22)
InChIKeyQHNKHPNRTZNCPR-UHFFFAOYSA-N
MW399.31 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 17022302) has the molecular formula C15H19BrN4O2S and a molecular weight of 399.31 g/mol. Its IUPAC name is 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID17022302
Molecular FormulaC15H19BrN4O2S
Molecular Weight399.31 g/mol
Exact Mass398.04
IUPAC Name2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(C)n2ncc(Br)c2C)c1C(N)=O
InChIInChI=1S/C15H19BrN4O2S/c1-5-10-9(4)23-15(12(10)13(17)21)19-14(22)8(3)20-7(2)11(16)6-18-20/h6,8H,5H2,1-4H3,(H2,17,21)(H,19,22)
InChIKeyQHNKHPNRTZNCPR-UHFFFAOYSA-N
XLogP3.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 5-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19535378
ethyl 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19535384
2-O-methyl 4-O-propyl 5-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19535405
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide
CID 19535452
5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 1222183
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
propan-2-yl 5-carbamoyl-2-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate
CID 19533651
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168931
2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 1370889
methyl 3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 28638080

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 17022302) is 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)C(C)n2ncc(Br)c2C)c1C(N)=O.
What is the InChIKey of 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is QHNKHPNRTZNCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2S/c1-5-10-9(4)23-15(12(10)13(17)21)19-14(22)8(3)20-7(2)11(16)6-18-20/h6,8H,5H2,1-4H3,(H2,17,21)(H,19,22).
What are the key properties of 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 399.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17022302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).