N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

C15H15F4N3O2 — CID 118552832

IUPACN-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(F)(F)F)Cc2ccc(O)cc2F)n[nH]1
InChIInChI=1S/C15H15F4N3O2/c1-9-6-13(21-20-9)14(24)22(5-4-15(17,18)19)8-10-2-3-11(23)7-12(10)16/h2-3,6-7,23H,4-5,8H2,1H3,(H,20,21)
InChIKeyISNHFQXDNJZGAV-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.16
Rot. Bonds5

About N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (PubChem CID 118552832) has the molecular formula C15H15F4N3O2 and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
PubChem CID118552832
Molecular FormulaC15H15F4N3O2
Molecular Weight345.30 g/mol
Exact Mass345.11
IUPAC NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(F)(F)F)Cc2ccc(O)cc2F)n[nH]1
InChIInChI=1S/C15H15F4N3O2/c1-9-6-13(21-20-9)14(24)22(5-4-15(17,18)19)8-10-2-3-11(23)7-12(10)16/h2-3,6-7,23H,4-5,8H2,1H3,(H,20,21)
InChIKeyISNHFQXDNJZGAV-UHFFFAOYSA-N
XLogP3.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (CID 118552832) is N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(CCC(F)(F)F)Cc2ccc(O)cc2F)n[nH]1.
What is the InChIKey of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ISNHFQXDNJZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2/c1-9-6-13(21-20-9)14(24)22(5-4-15(17,18)19)8-10-2-3-11(23)7-12(10)16/h2-3,6-7,23H,4-5,8H2,1H3,(H,20,21).
What are the key properties of N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 345.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118552832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).