N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide

C9H8BrN3OS — CID 47250390

IUPACN-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1ccn[nH]1
InChIInChI=1S/C9H8BrN3OS/c10-6-3-7(15-5-6)4-11-9(14)8-1-2-12-13-8/h1-3,5H,4H2,(H,11,14)(H,12,13)
InChIKeyXQFPJIHKXYZWRW-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.16
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 47250390) has the molecular formula C9H8BrN3OS and a molecular weight of 286.15 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID47250390
Molecular FormulaC9H8BrN3OS
Molecular Weight286.15 g/mol
Exact Mass284.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1ccn[nH]1
InChIInChI=1S/C9H8BrN3OS/c10-6-3-7(15-5-6)4-11-9(14)8-1-2-12-13-8/h1-3,5H,4H2,(H,11,14)(H,12,13)
InChIKeyXQFPJIHKXYZWRW-UHFFFAOYSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide (CID 47250390) is N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1cc(Br)cs1)c1ccn[nH]1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XQFPJIHKXYZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3OS/c10-6-3-7(15-5-6)4-11-9(14)8-1-2-12-13-8/h1-3,5H,4H2,(H,11,14)(H,12,13).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 286.15 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47250390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).