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

C16H13BrClN3OS — CID 16596863

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClN3OS/c1-21(9-12-6-7-14(17)23-12)16(22)13-8-19-20-15(13)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYTAMFQKUHKQUMG-UHFFFAOYSA-N
MW410.72 g/mol
LogP4.83
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 16596863) has the molecular formula C16H13BrClN3OS and a molecular weight of 410.72 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID16596863
Molecular FormulaC16H13BrClN3OS
Molecular Weight410.72 g/mol
Exact Mass408.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClN3OS/c1-21(9-12-6-7-14(17)23-12)16(22)13-8-19-20-15(13)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYTAMFQKUHKQUMG-UHFFFAOYSA-N
XLogP4.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.72
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
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5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
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N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24609959
N-[(5-bromothiophen-2-yl)methyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
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N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
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N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
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N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide
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N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 16596863) is N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is YTAMFQKUHKQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3OS/c1-21(9-12-6-7-14(17)23-12)16(22)13-8-19-20-15(13)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 410.72 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16596863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).