N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H14F3N3O2 — CID 19534907

IUPACN-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H14F3N3O2/c1-8-6-12(14(15,16)17)19-20(8)9(2)13(22)18-10-4-3-5-11(21)7-10/h3-7,9,21H,1-2H3,(H,18,22)
InChIKeyHDBTTYBLGKJNSI-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.12
Rot. Bonds3

About N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534907) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19534907
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H14F3N3O2/c1-8-6-12(14(15,16)17)19-20(8)9(2)13(22)18-10-4-3-5-11(21)7-10/h3-7,9,21H,1-2H3,(H,18,22)
InChIKeyHDBTTYBLGKJNSI-UHFFFAOYSA-N
XLogP3.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534907) is N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is HDBTTYBLGKJNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8-6-12(14(15,16)17)19-20(8)9(2)13(22)18-10-4-3-5-11(21)7-10/h3-7,9,21H,1-2H3,(H,18,22).
What are the key properties of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 313.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).