N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C12H10F3N3O2 — CID 19267836

IUPACN-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(O)c2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-18-10(12(13,14)15)6-9(17-18)11(20)16-7-3-2-4-8(19)5-7/h2-6,19H,1H3,(H,16,20)
InChIKeyWSHYADJXVVMGNX-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.40
Rot. Bonds2

About N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267836) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267836
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(O)c2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-18-10(12(13,14)15)6-9(17-18)11(20)16-7-3-2-4-8(19)5-7/h2-6,19H,1H3,(H,16,20)
InChIKeyWSHYADJXVVMGNX-UHFFFAOYSA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267836) is N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cccc(O)c2)cc1C(F)(F)F.
What is the InChIKey of N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is WSHYADJXVVMGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-18-10(12(13,14)15)6-9(17-18)11(20)16-7-3-2-4-8(19)5-7/h2-6,19H,1H3,(H,16,20).
What are the key properties of N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).