3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide

C17H17FN4O2S — CID 70775679

IUPAC3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C17H17FN4O2S/c1-24-8-7-22(11-16-19-6-9-25-16)17(23)15-10-14(20-21-15)12-4-2-3-5-13(12)18/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyVPLGCQYSHPMOAG-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.96
Rot. Bonds7

About 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 70775679) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID70775679
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C17H17FN4O2S/c1-24-8-7-22(11-16-19-6-9-25-16)17(23)15-10-14(20-21-15)12-4-2-3-5-13(12)18/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyVPLGCQYSHPMOAG-UHFFFAOYSA-N
XLogP2.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Ethyl-5-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide
CID 46889160
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889200
N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889202
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
(2S)-N-[2-oxo-5-(1H-pyrazol-5-yl)-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 136232856
US10022354, Example 81
CID 121279585
N-[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-2-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155558659
N-ethyl-5-[4-[(2R)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889201
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46993774
N-(2-methoxyethyl)-3-(5-methyl-2-thienyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70725637

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 70775679) is 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide is COCCN(Cc1nccs1)C(=O)c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VPLGCQYSHPMOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-24-8-7-22(11-16-19-6-9-25-16)17(23)15-10-14(20-21-15)12-4-2-3-5-13(12)18/h2-6,9-10H,7-8,11H2,1H3,(H,20,21).
What are the key properties of 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70775679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).