5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H14N6O2S — CID 71802174

IUPAC5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H14N6O2S/c23-15(13-9-12(20-21-13)14-3-1-8-24-14)17-6-4-11-10-25-16(19-11)22-7-2-5-18-22/h1-3,5,7-10H,4,6H2,(H,17,23)(H,20,21)
InChIKeyWVFOWAUEUQHFBG-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.28
Rot. Bonds6

About 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 71802174) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID71802174
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H14N6O2S/c23-15(13-9-12(20-21-13)14-3-1-8-24-14)17-6-4-11-10-25-16(19-11)22-7-2-5-18-22/h1-3,5,7-10H,4,6H2,(H,17,23)(H,20,21)
InChIKeyWVFOWAUEUQHFBG-UHFFFAOYSA-N
XLogP2.28
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 71802174) is 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is O=C(NCCc1csc(-n2cccn2)n1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WVFOWAUEUQHFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c23-15(13-9-12(20-21-13)14-3-1-8-24-14)17-6-4-11-10-25-16(19-11)22-7-2-5-18-22/h1-3,5,7-10H,4,6H2,(H,17,23)(H,20,21).
What are the key properties of 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71802174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).