3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide

C17H14F3N3OS — CID 39853202

IUPAC3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H14F3N3OS/c1-11-5-6-25-15(11)16(24)22-14-8-21-23(10-14)9-12-3-2-4-13(7-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,22,24)
InChIKeyNQWNGVBLPXKONQ-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.57
Rot. Bonds4

About 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide

3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 39853202) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID39853202
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H14F3N3OS/c1-11-5-6-25-15(11)16(24)22-14-8-21-23(10-14)9-12-3-2-4-13(7-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,22,24)
InChIKeyNQWNGVBLPXKONQ-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Penthiopyrad
CID 11388558
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
[3-(2-thienyl)-1H-pyrazol-1-yl][4-(trifluoromethyl)phenyl]methanone
CID 2814853
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432690
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432727
4-(trans-2-(cyclobutylamino)-cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432752
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432794

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 39853202) is 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is NQWNGVBLPXKONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-11-5-6-25-15(11)16(24)22-14-8-21-23(10-14)9-12-3-2-4-13(7-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,22,24).
What are the key properties of 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide?
3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39853202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).