N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide

C10H10BrN3OS — CID 167858795

IUPACN-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccsc2Br)cn1
InChIInChI=1S/C10H10BrN3OS/c1-14-6-8(5-13-14)10(15)12-4-7-2-3-16-9(7)11/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyDQWXDTMKBVHQSD-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.17
Rot. Bonds3

About N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide

N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 167858795) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID167858795
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccsc2Br)cn1
InChIInChI=1S/C10H10BrN3OS/c1-14-6-8(5-13-14)10(15)12-4-7-2-3-16-9(7)11/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyDQWXDTMKBVHQSD-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-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 130949120
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71922829
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
CID 138042455
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71972398
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 167858795) is N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccsc2Br)cn1.
What is the InChIKey of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DQWXDTMKBVHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14-6-8(5-13-14)10(15)12-4-7-2-3-16-9(7)11/h2-3,5-6H,4H2,1H3,(H,12,15).
What are the key properties of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-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 N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167858795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).