ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

C20H22N4O2S — CID 10156751

IUPACethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)[nH]n1
InChIInChI=1S/C20H22N4O2S/c1-2-26-20(25)16-13-15(22-23-16)17-18(24-11-7-4-8-12-24)21-19(27-17)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H,22,23)
InChIKeyBKTAESZQYPNAHH-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.37
Rot. Bonds5

About ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (PubChem CID 10156751) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
PubChem CID10156751
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Nameethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)[nH]n1
InChIInChI=1S/C20H22N4O2S/c1-2-26-20(25)16-13-15(22-23-16)17-18(24-11-7-4-8-12-24)21-19(27-17)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H,22,23)
InChIKeyBKTAESZQYPNAHH-UHFFFAOYSA-N
XLogP4.37
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-morpholin-4-yl-2-phenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 10134622
ethyl 5-(2-phenyl-4-propyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889104
ethyl 5-(2,4-diphenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889105
ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889131
ethyl 5-[4-(methoxymethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 46889133
ethyl 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889157
Ethyl 5-[4-cyclopropyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylate
CID 46889158
Ethyl 5-[4-phenyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylate
CID 46889159
methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
CID 127045234
Ethyl 1-benzyl-3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-5-carboxylate
CID 46220952
Methyl 6-(5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-ylamino)pyridine-2-carboxylate
CID 53388192
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylate
CID 46220735

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate (CID 10156751) is ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)[nH]n1.
What is the InChIKey of ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
The InChIKey is BKTAESZQYPNAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-26-20(25)16-13-15(22-23-16)17-18(24-11-7-4-8-12-24)21-19(27-17)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H,22,23).
What are the key properties of ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate?
ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate has a molecular weight of 382.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 10156751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).