N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide

C16H19F2N3O2 — CID 138016933

IUPACN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCn1ncc(NC(=O)C(C)(C)Cc2ccc(O)cc2)c1C(F)F
InChIInChI=1S/C16H19F2N3O2/c1-16(2,8-10-4-6-11(22)7-5-10)15(23)20-12-9-19-21(3)13(12)14(17)18/h4-7,9,14,22H,8H2,1-3H3,(H,20,23)
InChIKeyWWESDDSSCWNSHL-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.27
Rot. Bonds5

About N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide

N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide (PubChem CID 138016933) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide
PubChem CID138016933
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC NameN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCn1ncc(NC(=O)C(C)(C)Cc2ccc(O)cc2)c1C(F)F
InChIInChI=1S/C16H19F2N3O2/c1-16(2,8-10-4-6-11(22)7-5-10)15(23)20-12-9-19-21(3)13(12)14(17)18/h4-7,9,14,22H,8H2,1-3H3,(H,20,23)
InChIKeyWWESDDSSCWNSHL-UHFFFAOYSA-N
XLogP3.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide (CID 138016933) is N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide is Cn1ncc(NC(=O)C(C)(C)Cc2ccc(O)cc2)c1C(F)F.
What is the InChIKey of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is WWESDDSSCWNSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-16(2,8-10-4-6-11(22)7-5-10)15(23)20-12-9-19-21(3)13(12)14(17)18/h4-7,9,14,22H,8H2,1-3H3,(H,20,23).
What are the key properties of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide?
N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 323.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 138016933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).