3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C19H20FN5OS — CID 99875791

IUPAC3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H20FN5OS/c20-15-5-3-14(4-6-15)16-10-17(24-23-16)18(26)22-11-13-2-1-8-25(12-13)19-21-7-9-27-19/h3-7,9-10,13H,1-2,8,11-12H2,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyBPJSHLKXIGBUCI-ZDUSSCGKSA-N
MW385.47 g/mol
LogP3.32
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 99875791) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID99875791
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H20FN5OS/c20-15-5-3-14(4-6-15)16-10-17(24-23-16)18(26)22-11-13-2-1-8-25(12-13)19-21-7-9-27-19/h3-7,9-10,13H,1-2,8,11-12H2,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyBPJSHLKXIGBUCI-ZDUSSCGKSA-N
XLogP3.32
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875755
4-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875754
3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875799
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
1-(3,5-dimethoxyphenyl)-3-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]urea
CID 90621871
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 99875791) is 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BPJSHLKXIGBUCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FN5OS/c20-15-5-3-14(4-6-15)16-10-17(24-23-16)18(26)22-11-13-2-1-8-25(12-13)19-21-7-9-27-19/h3-7,9-10,13H,1-2,8,11-12H2,(H,22,26)(H,23,24)/t13-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99875791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).