1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C20H15FN4O2S — CID 42109808

IUPAC1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C20H15FN4O2S/c21-15-6-8-16(9-7-15)25-12-17(27-13-14-4-2-1-3-5-14)18(24-25)19(26)23-20-22-10-11-28-20/h1-12H,13H2,(H,22,23,26)
InChIKeyXOYRAVITQMHNLC-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.30
Rot. Bonds6

About 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 42109808) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID42109808
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C20H15FN4O2S/c21-15-6-8-16(9-7-15)25-12-17(27-13-14-4-2-1-3-5-14)18(24-25)19(26)23-20-22-10-11-28-20/h1-12H,13H2,(H,22,23,26)
InChIKeyXOYRAVITQMHNLC-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 53369854
ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
CID 56528108
1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 59513975
2-oxo-1-phenylmethoxy-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110382868
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 141216526
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 42109745
N-(5-benzyl-1,3-thiazol-2-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 17494358
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 121061946
N-[[4-(4-fluorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 4097903
(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714174
2-[(4-fluorophenyl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37187296

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 42109808) is 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nccs1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is XOYRAVITQMHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-15-6-8-16(9-7-15)25-12-17(27-13-14-4-2-1-3-5-14)18(24-25)19(26)23-20-22-10-11-28-20/h1-12H,13H2,(H,22,23,26).
What are the key properties of 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 42109808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).