N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C8H5F3N4OS — CID 35591592

IUPACN-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)5-3-4(14-15-5)6(16)13-7-12-1-2-17-7/h1-3H,(H,14,15)(H,12,13,16)
InChIKeyQPFAZBDXZFWXTC-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.14
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 35591592) has the molecular formula C8H5F3N4OS and a molecular weight of 262.22 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID35591592
Molecular FormulaC8H5F3N4OS
Molecular Weight262.22 g/mol
Exact Mass262.01
IUPAC NameN-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)5-3-4(14-15-5)6(16)13-7-12-1-2-17-7/h1-3H,(H,14,15)(H,12,13,16)
InChIKeyQPFAZBDXZFWXTC-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 35591592) is N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1nccs1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QPFAZBDXZFWXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c9-8(10,11)5-3-4(14-15-5)6(16)13-7-12-1-2-17-7/h1-3H,(H,14,15)(H,12,13,16).
What are the key properties of N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 35591592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).