N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide

C15H20FN3OS — CID 143533976

IUPACN-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC)C(=O)c1ccc(-c2cc(CF)n(C)n2)s1
InChIInChI=1S/C15H20FN3OS/c1-4-8-19(5-2)15(20)14-7-6-13(21-14)12-9-11(10-16)18(3)17-12/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyQFNIEHBMWPKDCU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide

N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide (PubChem CID 143533976) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide
PubChem CID143533976
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC NameN-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC)C(=O)c1ccc(-c2cc(CF)n(C)n2)s1
InChIInChI=1S/C15H20FN3OS/c1-4-8-19(5-2)15(20)14-7-6-13(21-14)12-9-11(10-16)18(3)17-12/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyQFNIEHBMWPKDCU-UHFFFAOYSA-N
XLogP3.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide (CID 143533976) is N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide is CCCN(CC)C(=O)c1ccc(-c2cc(CF)n(C)n2)s1.
What is the InChIKey of N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is QFNIEHBMWPKDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-4-8-19(5-2)15(20)14-7-6-13(21-14)12-9-11(10-16)18(3)17-12/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide?
N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[5-(fluoromethyl)-1-methylpyrazol-3-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 143533976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).