4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide

C18H18FN3OS — CID 2970845

IUPAC4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)csc1C
InChIInChI=1S/C18H18FN3OS/c1-3-16-12(2)24-11-17(16)18(23)21-15-8-20-22(10-15)9-13-4-6-14(19)7-5-13/h4-8,10-11H,3,9H2,1-2H3,(H,21,23)
InChIKeyIJBDLLCYCVNXJE-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.26
Rot. Bonds5

About 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide

4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide (PubChem CID 2970845) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide
PubChem CID2970845
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)csc1C
InChIInChI=1S/C18H18FN3OS/c1-3-16-12(2)24-11-17(16)18(23)21-15-8-20-22(10-15)9-13-4-6-14(19)7-5-13/h4-8,10-11H,3,9H2,1-2H3,(H,21,23)
InChIKeyIJBDLLCYCVNXJE-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 118432730
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CID 2970279
CID 2970279
CID 1245360
CID 1245360
CID 1245434
CID 1245434
CID 127049214
CID 127049214
CID 155518023
CID 155518023
CID 155532647
CID 155532647
CID 155556173
CID 155556173
CID 155565280
CID 155565280
CID 1225355
CID 1225355
CID 164619960
CID 164619960

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide?
The IUPAC name of 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide (CID 2970845) is 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide is CCc1c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)csc1C.
What is the InChIKey of 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide?
The InChIKey is IJBDLLCYCVNXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-3-16-12(2)24-11-17(16)18(23)21-15-8-20-22(10-15)9-13-4-6-14(19)7-5-13/h4-8,10-11H,3,9H2,1-2H3,(H,21,23).
What are the key properties of 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide?
4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 2970845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).