N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide

C13H14F3N3OS — CID 2225442

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cccs1
InChIInChI=1S/C13H14F3N3OS/c1-9-8-11(13(14,15)16)18-19(9)6-3-5-17-12(20)10-4-2-7-21-10/h2,4,7-8H,3,5-6H2,1H3,(H,17,20)
InChIKeyZKQXIBBNMLYBCK-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.09
Rot. Bonds5

About N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide (PubChem CID 2225442) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
PubChem CID2225442
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cccs1
InChIInChI=1S/C13H14F3N3OS/c1-9-8-11(13(14,15)16)18-19(9)6-3-5-17-12(20)10-4-2-7-21-10/h2,4,7-8H,3,5-6H2,1H3,(H,17,20)
InChIKeyZKQXIBBNMLYBCK-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
CID 19295789
4-bromo-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481057
1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19333996
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 19615406
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
CID 91774793
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 19333992
2-[4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500657
1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-phenylthiourea
CID 19334188
(E)-3-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]prop-2-enamide
CID 19295629
1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822812
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide
CID 19272108

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide (CID 2225442) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide?
The InChIKey is ZKQXIBBNMLYBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-9-8-11(13(14,15)16)18-19(9)6-3-5-17-12(20)10-4-2-7-21-10/h2,4,7-8H,3,5-6H2,1H3,(H,17,20).
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2225442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).