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

C20H17N5OS — CID 46889199

IUPACN-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccccc2)[nH]n1
InChIInChI=1S/C20H17N5OS/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/h3-12H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyHBFJVICIUVNZPP-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.01
Rot. Bonds5

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

N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide (PubChem CID 46889199) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
PubChem CID46889199
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccccc2)[nH]n1
InChIInChI=1S/C20H17N5OS/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/h3-12H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyHBFJVICIUVNZPP-UHFFFAOYSA-N
XLogP4.01
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide (CID 46889199) is N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccccc2)[nH]n1.
What is the InChIKey of N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is HBFJVICIUVNZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/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/h3-12H,2H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide?
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46889199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).