4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

C10H10BrN3OS — CID 5154110

IUPAC4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NCc2cccs2)n1
InChIInChI=1S/C10H10BrN3OS/c1-14-6-8(11)9(13-14)10(15)12-5-7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeyQVCKRWZCJMZYRB-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.17
Rot. Bonds3

About 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 5154110) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID5154110
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NCc2cccs2)n1
InChIInChI=1S/C10H10BrN3OS/c1-14-6-8(11)9(13-14)10(15)12-5-7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeyQVCKRWZCJMZYRB-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'3-(2-thienylcarbonyl)-4-bromo-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743626
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
4-bromo-1-ethyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 973638
4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide
CID 660362
4-bromo-1-methyl-N-(2-thienylmethyl)-1H-pyrazole-5-carboxamide
CID 1236038
4-bromo-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-5-ethyl-2-thiophenecarboxamide
CID 1245602
4-bromo-1-ethyl-N-[2-(methylthio)phenyl]-1H-pyrazole-3-carboxamide
CID 4083054
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-thienylmethyl)acetamide
CID 1101555
(4-Bromo-2-thienyl){4-[(1-ethyl-3-methyl-1H-pyrazol-4-YL)methyl]piperazino}methanone
CID 19585676
5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45818972
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45887140

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 5154110) is 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)NCc2cccs2)n1.
What is the InChIKey of 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is QVCKRWZCJMZYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14-6-8(11)9(13-14)10(15)12-5-7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,12,15).
What are the key properties of 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 5154110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).