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

C20H20FN5O2S — CID 91628894

IUPACN-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)cs1
InChIInChI=1S/C20H20FN5O2S/c1-12-22-18(11-29-12)20(28)26-8-6-13(7-9-26)16-10-17(25-24-16)19(27)23-15-5-3-2-4-14(15)21/h2-5,10-11,13H,6-9H2,1H3,(H,23,27)(H,24,25)
InChIKeyHVSZGPSDONFUDJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.59
Rot. Bonds4

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

N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628894) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628894
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC NameN-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)cs1
InChIInChI=1S/C20H20FN5O2S/c1-12-22-18(11-29-12)20(28)26-8-6-13(7-9-26)16-10-17(25-24-16)19(27)23-15-5-3-2-4-14(15)21/h2-5,10-11,13H,6-9H2,1H3,(H,23,27)(H,24,25)
InChIKeyHVSZGPSDONFUDJ-UHFFFAOYSA-N
XLogP3.59
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
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
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
US10022354, Example 74
CID 121279707
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-cyano-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide
CID 118735951
N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide
CID 118735952
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
[5-(2,4-Dimethyl-1,3-Thiazol-5-Yl)-1~{h}-Pyrazol-3-Yl]-(4-Phenylpiperazin-1-Yl)methanone
CID 30848794
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-[(1H-indazole-3-carbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 3804759
1-(2-fluorophenyl)-4-[(3-thien-2-yl-1H-pyrazol-5-yl)carbonyl]piperazine
CID 20906445

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628894) is N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is Cc1nc(C(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)cs1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HVSZGPSDONFUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c1-12-22-18(11-29-12)20(28)26-8-6-13(7-9-26)16-10-17(25-24-16)19(27)23-15-5-3-2-4-14(15)21/h2-5,10-11,13H,6-9H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).