5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide

C10H10BrN3OS — CID 55139382

IUPAC5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCn1cccn1)c1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c11-9-3-2-8(16-9)10(15)12-5-7-14-6-1-4-13-14/h1-4,6H,5,7H2,(H,12,15)
InChIKeySYPWPBDEHIMLCX-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.14
Rot. Bonds4

About 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide

5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide (PubChem CID 55139382) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
PubChem CID55139382
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCn1cccn1)c1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c11-9-3-2-8(16-9)10(15)12-5-7-14-6-1-4-13-14/h1-4,6H,5,7H2,(H,12,15)
InChIKeySYPWPBDEHIMLCX-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide
CID 113285899
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CID 104693703
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
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5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone
CID 17374707
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2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 106047077
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide (CID 55139382) is 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide is O=C(NCCn1cccn1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is SYPWPBDEHIMLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-9-3-2-8(16-9)10(15)12-5-7-14-6-1-4-13-14/h1-4,6H,5,7H2,(H,12,15).
What are the key properties of 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55139382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).