1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H19FN4O2S — CID 55687429

IUPAC1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)n1
InChIInChI=1S/C23H19FN4O2S/c1-30-20-12-5-2-7-14(20)17-13-31-23(25-17)26-22(29)21-15-8-6-11-18(15)28(27-21)19-10-4-3-9-16(19)24/h2-5,7,9-10,12-13H,6,8,11H2,1H3,(H,25,26,29)
InChIKeyKLWFGSRAJHSZMM-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.88
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55687429) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55687429
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC Name1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)n1
InChIInChI=1S/C23H19FN4O2S/c1-30-20-12-5-2-7-14(20)17-13-31-23(25-17)26-22(29)21-15-8-6-11-18(15)28(27-21)19-10-4-3-9-16(19)24/h2-5,7,9-10,12-13H,6,8,11H2,1H3,(H,25,26,29)
InChIKeyKLWFGSRAJHSZMM-UHFFFAOYSA-N
XLogP4.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazole scaffold, 13
CID 25218469
3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
N-(3-Acetylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015332
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221818
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 49792745
N-[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 155539507
2,6-difluoro-N-(1-(4-(3-methoxyphenyl)thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)benzamide
CID 25281974
2-(4-fluorophenyl)-N-(1-(4-(3-methoxyphenyl)thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 25281994
N-(1-(4-(4-ethoxyphenyl)thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 25282046
N-(1-(4-(4-ethoxyphenyl)thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 25282050
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 46221820
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 46222032

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55687429) is 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COc1ccccc1-c1csc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KLWFGSRAJHSZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-30-20-12-5-2-7-14(20)17-13-31-23(25-17)26-22(29)21-15-8-6-11-18(15)28(27-21)19-10-4-3-9-16(19)24/h2-5,7,9-10,12-13H,6,8,11H2,1H3,(H,25,26,29).
What are the key properties of 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55687429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).