4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

C10H10BrN3OS — CID 1236038

IUPAC4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)NCc1cccs1
InChIInChI=1S/C10H10BrN3OS/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeyPNEGSCGAVMVBMP-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.17
Rot. Bonds3

About 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 1236038) 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-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID1236038
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)NCc1cccs1
InChIInChI=1S/C10H10BrN3OS/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeyPNEGSCGAVMVBMP-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (CID 1236038) is 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)NCc1cccs1.
What is the InChIKey of 4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is PNEGSCGAVMVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14-9(8(11)6-13-14)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-5-carboxamide?
4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-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-5-carboxamide is sourced from PubChem (CID 1236038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).