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

C14H16FN3O3 — CID 118552836

IUPACN-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCO)Cc2ccc(O)cc2F)n[nH]1
InChIInChI=1S/C14H16FN3O3/c1-9-6-13(17-16-9)14(21)18(4-5-19)8-10-2-3-11(20)7-12(10)15/h2-3,6-7,19-20H,4-5,8H2,1H3,(H,16,17)
InChIKeyREZJATNPQKPQRC-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.20
Rot. Bonds5

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

N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 118552836) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID118552836
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCO)Cc2ccc(O)cc2F)n[nH]1
InChIInChI=1S/C14H16FN3O3/c1-9-6-13(17-16-9)14(21)18(4-5-19)8-10-2-3-11(20)7-12(10)15/h2-3,6-7,19-20H,4-5,8H2,1H3,(H,16,17)
InChIKeyREZJATNPQKPQRC-UHFFFAOYSA-N
XLogP1.20
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 118552836) is N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(CCO)Cc2ccc(O)cc2F)n[nH]1.
What is the InChIKey of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is REZJATNPQKPQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-9-6-13(17-16-9)14(21)18(4-5-19)8-10-2-3-11(20)7-12(10)15/h2-3,6-7,19-20H,4-5,8H2,1H3,(H,16,17).
What are the key properties of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118552836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).