5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide

C15H11BrFN3OS — CID 99626490

IUPAC5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide
SMILESCc1c(NC(=O)c2csc(Br)c2)cnn1-c1ccccc1F
InChIInChI=1S/C15H11BrFN3OS/c1-9-12(19-15(21)10-6-14(16)22-8-10)7-18-20(9)13-5-3-2-4-11(13)17/h2-8H,1H3,(H,19,21)
InChIKeyJLDZZGIIWZVNLE-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.40
Rot. Bonds3

About 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide

5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 99626490) has the molecular formula C15H11BrFN3OS and a molecular weight of 380.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide
PubChem CID99626490
Molecular FormulaC15H11BrFN3OS
Molecular Weight380.24 g/mol
Exact Mass378.98
IUPAC Name5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide
SMILESCc1c(NC(=O)c2csc(Br)c2)cnn1-c1ccccc1F
InChIInChI=1S/C15H11BrFN3OS/c1-9-12(19-15(21)10-6-14(16)22-8-10)7-18-20(9)13-5-3-2-4-11(13)17/h2-8H,1H3,(H,19,21)
InChIKeyJLDZZGIIWZVNLE-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
CID 122150700
4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide
CID 99581597
N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026336
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
(2S,3S)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-methyloxane-3-carboxamide
CID 129400162
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide (CID 99626490) is 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide is Cc1c(NC(=O)c2csc(Br)c2)cnn1-c1ccccc1F.
What is the InChIKey of 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is JLDZZGIIWZVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3OS/c1-9-12(19-15(21)10-6-14(16)22-8-10)7-18-20(9)13-5-3-2-4-11(13)17/h2-8H,1H3,(H,19,21).
What are the key properties of 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide?
5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 99626490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).