N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide

C18H18FN3OS — CID 35279139

IUPACN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1c(C)nn(Cc2cccc(F)c2)c1C
InChIInChI=1S/C18H18FN3OS/c1-11-7-8-24-17(11)18(23)20-16-12(2)21-22(13(16)3)10-14-5-4-6-15(19)9-14/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyVKLMCCFYFRWMAP-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.31
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide

N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 35279139) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID35279139
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1c(C)nn(Cc2cccc(F)c2)c1C
InChIInChI=1S/C18H18FN3OS/c1-11-7-8-24-17(11)18(23)20-16-12(2)21-22(13(16)3)10-14-5-4-6-15(19)9-14/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyVKLMCCFYFRWMAP-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide (CID 35279139) is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1c(C)nn(Cc2cccc(F)c2)c1C.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is VKLMCCFYFRWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-11-7-8-24-17(11)18(23)20-16-12(2)21-22(13(16)3)10-14-5-4-6-15(19)9-14/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 35279139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).