5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C17H15F3N4OS — CID 32992071

IUPAC5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C17H15F3N4OS/c1-10-5-6-26-14(10)9-22-16(25)13-8-23-24(11(13)2)15-4-3-12(7-21-15)17(18,19)20/h3-8H,9H2,1-2H3,(H,22,25)
InChIKeyBOURGMYLQZRPEM-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.89
Rot. Bonds4

About 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 32992071) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID32992071
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C17H15F3N4OS/c1-10-5-6-26-14(10)9-22-16(25)13-8-23-24(11(13)2)15-4-3-12(7-21-15)17(18,19)20/h3-8H,9H2,1-2H3,(H,22,25)
InChIKeyBOURGMYLQZRPEM-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 32822847
N-[(2,4-dichlorophenyl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55512167
N-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55717058
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-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
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-[2-(1,3-benzothiazol-2-ylamino)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55635689
N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 86927595
N-methoxy-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46577649

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 32992071) is 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1ccsc1CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C.
What is the InChIKey of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is BOURGMYLQZRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-10-5-6-26-14(10)9-22-16(25)13-8-23-24(11(13)2)15-4-3-12(7-21-15)17(18,19)20/h3-8H,9H2,1-2H3,(H,22,25).
What are the key properties of 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 32992071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).