5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide

C20H23N5OS — CID 46889216

IUPAC5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)[nH]n1
InChIInChI=1S/C20H23N5OS/c1-2-22-19(26)16-11-15(24-25-16)18-17(13-7-4-3-5-8-13)23-20(27-18)14-9-6-10-21-12-14/h6,9-13H,2-5,7-8H2,1H3,(H,22,26)(H,24,25)
InChIKeyQRHYMYBQSUQMRZ-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.39
Rot. Bonds5

About 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide

5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 46889216) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
PubChem CID46889216
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)[nH]n1
InChIInChI=1S/C20H23N5OS/c1-2-22-19(26)16-11-15(24-25-16)18-17(13-7-4-3-5-8-13)23-20(27-18)14-9-6-10-21-12-14/h6,9-13H,2-5,7-8H2,1H3,(H,22,26)(H,24,25)
InChIKeyQRHYMYBQSUQMRZ-UHFFFAOYSA-N
XLogP4.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide (CID 46889216) is 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)[nH]n1.
What is the InChIKey of 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is QRHYMYBQSUQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-22-19(26)16-11-15(24-25-16)18-17(13-7-4-3-5-8-13)23-20(27-18)14-9-6-10-21-12-14/h6,9-13H,2-5,7-8H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide?
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46889216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).