N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C18H17ClFN3OS — CID 31820707

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H17ClFN3OS/c1-3-22(11-15-8-9-17(19)25-15)18(24)16-10-21-23(12(16)2)14-6-4-13(20)5-7-14/h4-10H,3,11H2,1-2H3
InChIKeyCNKSSZUPQFIEBZ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.70
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 31820707) has the molecular formula C18H17ClFN3OS and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID31820707
Molecular FormulaC18H17ClFN3OS
Molecular Weight377.87 g/mol
Exact Mass377.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H17ClFN3OS/c1-3-22(11-15-8-9-17(19)25-15)18(24)16-10-21-23(12(16)2)14-6-4-13(20)5-7-14/h4-10H,3,11H2,1-2H3
InChIKeyCNKSSZUPQFIEBZ-UHFFFAOYSA-N
XLogP4.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 31820707) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is CNKSSZUPQFIEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3OS/c1-3-22(11-15-8-9-17(19)25-15)18(24)16-10-21-23(12(16)2)14-6-4-13(20)5-7-14/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31820707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).