N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane

C19H26F3N3OS — CID 143534142

IUPACN-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane
SMILESCC.CCCN(CC1CC1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C17H20F3N3OS.C2H6/c1-3-8-23(10-11-4-5-11)16(24)14-7-6-13(25-14)12-9-15(17(18,19)20)22(2)21-12;1-2/h6-7,9,11H,3-5,8,10H2,1-2H3;1-2H3
InChIKeyPYBJYGGPDGFJHF-UHFFFAOYSA-N
MW401.50 g/mol
LogP5.46
Rot. Bonds6

About N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane

N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane (PubChem CID 143534142) has the molecular formula C19H26F3N3OS and a molecular weight of 401.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane
PubChem CID143534142
Molecular FormulaC19H26F3N3OS
Molecular Weight401.50 g/mol
Exact Mass401.17
IUPAC NameN-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane
SMILESCC.CCCN(CC1CC1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C17H20F3N3OS.C2H6/c1-3-8-23(10-11-4-5-11)16(24)14-7-6-13(25-14)12-9-15(17(18,19)20)22(2)21-12;1-2/h6-7,9,11H,3-5,8,10H2,1-2H3;1-2H3
InChIKeyPYBJYGGPDGFJHF-UHFFFAOYSA-N
XLogP5.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 44418141
Thiophene-2-carboxamide, 5-(3-trifluoromethyl-1-methyl-5-pyrazolyl)-N-methyl-
CID 621265
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-N,N-dimethyl-
CID 621268
N2,N2-dimethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 2819922
(5Z)-3-ethyl-5-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 44367072
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
CID 3801312
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-
CID 621259
N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 3797050
2-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]benzamide
CID 56847745
4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 68062204
5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-thiophenecarboxaldehyde
CID 2775667

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane?
The IUPAC name of N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane (CID 143534142) is N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane?
The canonical SMILES for N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane is CC.CCCN(CC1CC1)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane?
The InChIKey is PYBJYGGPDGFJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS.C2H6/c1-3-8-23(10-11-4-5-11)16(24)14-7-6-13(25-14)12-9-15(17(18,19)20)22(2)21-12;1-2/h6-7,9,11H,3-5,8,10H2,1-2H3;1-2H3.
What are the key properties of N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane?
N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane has a molecular weight of 401.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane is sourced from PubChem (CID 143534142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).