4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C12H15BrN4OS — CID 66123758

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(Br)s2)c1N
InChIInChI=1S/C12H15BrN4OS/c1-3-8-10(14)11(17(2)16-8)12(18)15-6-7-4-5-9(13)19-7/h4-5H,3,6,14H2,1-2H3,(H,15,18)
InChIKeyFTBBZICRZDKLFX-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.32
Rot. Bonds4

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66123758) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66123758
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(Br)s2)c1N
InChIInChI=1S/C12H15BrN4OS/c1-3-8-10(14)11(17(2)16-8)12(18)15-6-7-4-5-9(13)19-7/h4-5H,3,6,14H2,1-2H3,(H,15,18)
InChIKeyFTBBZICRZDKLFX-UHFFFAOYSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
CID 66123952
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115405271
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66125685
4-amino-3-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1-methylpyrazole-5-carboxamide
CID 66116760
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124345
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122995
4-amino-N-[(4-bromothiophen-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123050

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66123758) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ccc(Br)s2)c1N.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is FTBBZICRZDKLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-3-8-10(14)11(17(2)16-8)12(18)15-6-7-4-5-9(13)19-7/h4-5H,3,6,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).