3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

C18H18FN3O2S — CID 46942696

IUPAC3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(=O)NCc2cccs2)[nH]n1
InChIInChI=1S/C18H18FN3O2S/c1-2-7-24-17-6-5-12(19)9-14(17)15-10-16(22-21-15)18(23)20-11-13-4-3-8-25-13/h3-6,8-10H,2,7,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyJQPVJRKNAIGZDB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.00
Rot. Bonds7

About 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46942696) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID46942696
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(=O)NCc2cccs2)[nH]n1
InChIInChI=1S/C18H18FN3O2S/c1-2-7-24-17-6-5-12(19)9-14(17)15-10-16(22-21-15)18(23)20-11-13-4-3-8-25-13/h3-6,8-10H,2,7,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyJQPVJRKNAIGZDB-UHFFFAOYSA-N
XLogP4.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 46942696) is 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2cccs2)[nH]n1.
What is the InChIKey of 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JQPVJRKNAIGZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-2-7-24-17-6-5-12(19)9-14(17)15-10-16(22-21-15)18(23)20-11-13-4-3-8-25-13/h3-6,8-10H,2,7,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46942696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).