N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide

C16H14FN3OS — CID 42686256

IUPACN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccs1
InChIInChI=1S/C16H14FN3OS/c1-2-12-15(18-16(21)13-7-4-8-22-13)14(20-19-12)10-5-3-6-11(17)9-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyJDHCYDLXXDSMNW-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.09
Rot. Bonds4

About N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide

N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 42686256) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID42686256
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccs1
InChIInChI=1S/C16H14FN3OS/c1-2-12-15(18-16(21)13-7-4-8-22-13)14(20-19-12)10-5-3-6-11(17)9-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyJDHCYDLXXDSMNW-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide (CID 42686256) is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide is CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccs1.
What is the InChIKey of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is JDHCYDLXXDSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-2-12-15(18-16(21)13-7-4-8-22-13)14(20-19-12)10-5-3-6-11(17)9-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42686256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).