5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C17H17FN4O2S — CID 56759770

IUPAC5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(c1cncs1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H17FN4O2S/c1-11(16-8-19-10-25-16)22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyLSGXAJYXURNDQU-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.42
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 56759770) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID56759770
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(c1cncs1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H17FN4O2S/c1-11(16-8-19-10-25-16)22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-8,10-11H,9H2,1-2H3,(H,20,21)
InChIKeyLSGXAJYXURNDQU-UHFFFAOYSA-N
XLogP3.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56739273
N-(2-methoxyethyl)-3-(5-methyl-2-furyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70770209
N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 56760234
5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 25274427
5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 25286246
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 42095138
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42197091
5-[(3-fluorophenoxy)methyl]-N-methyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 42289433
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42529039
5-[(3-fluorophenoxy)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 42529406
5-[(3-fluorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42596082
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 45192154

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 56759770) is 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is CC(c1cncs1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LSGXAJYXURNDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-11(16-8-19-10-25-16)22(2)17(23)15-7-13(20-21-15)9-24-14-5-3-4-12(18)6-14/h3-8,10-11H,9H2,1-2H3,(H,20,21).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56759770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).