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

C16H12BrF3N4OS — CID 32822847

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Br)s2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12BrF3N4OS/c1-9-12(15(25)22-7-11-3-4-13(17)26-11)8-23-24(9)14-5-2-10(6-21-14)16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeyNEZCWIOKWUFJBP-UHFFFAOYSA-N
MW445.26 g/mol
LogP4.35
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 32822847) has the molecular formula C16H12BrF3N4OS and a molecular weight of 445.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID32822847
Molecular FormulaC16H12BrF3N4OS
Molecular Weight445.26 g/mol
Exact Mass443.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Br)s2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12BrF3N4OS/c1-9-12(15(25)22-7-11-3-4-13(17)26-11)8-23-24(9)14-5-2-10(6-21-14)16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeyNEZCWIOKWUFJBP-UHFFFAOYSA-N
XLogP4.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 32992071
N-[(2,4-dichlorophenyl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55512167
N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 110000971
5-propan-2-yl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041012
5-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 34761380
N-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55717058
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55635689
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 86927595
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 38964681
N-[4-(diethylamino)phenyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46581688
N-methoxy-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46577649

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 32822847) is N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccc(Br)s2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is NEZCWIOKWUFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N4OS/c1-9-12(15(25)22-7-11-3-4-13(17)26-11)8-23-24(9)14-5-2-10(6-21-14)16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 445.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 32822847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).