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

C18H17ClFN3OS — CID 31996999

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2ccc(Cl)s2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3OS/c1-3-16-15(10-21-23(16)13-6-4-12(20)5-7-13)18(24)22(2)11-14-8-9-17(19)25-14/h4-10H,3,11H2,1-2H3
InChIKeyQYQINTUQNPGKBH-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.56
Rot. Bonds5

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

N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 31996999) has the molecular formula C18H17ClFN3OS and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide
PubChem CID31996999
Molecular FormulaC18H17ClFN3OS
Molecular Weight377.87 g/mol
Exact Mass377.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2ccc(Cl)s2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3OS/c1-3-16-15(10-21-23(16)13-6-4-12(20)5-7-13)18(24)22(2)11-14-8-9-17(19)25-14/h4-10H,3,11H2,1-2H3
InChIKeyQYQINTUQNPGKBH-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
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]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide (CID 31996999) is N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2ccc(Cl)s2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is QYQINTUQNPGKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3OS/c1-3-16-15(10-21-23(16)13-6-4-12(20)5-7-13)18(24)22(2)11-14-8-9-17(19)25-14/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 4.56, 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]-5-ethyl-1-(4-fluorophenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31996999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).