5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H16F3N5O2 — CID 140862074

IUPAC5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccccc2O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H16F3N5O2/c1-2-11-15(16(22)26(25-11)12-5-3-4-6-13(12)27)17(28)24-14-8-7-10(9-23-14)18(19,20)21/h3-9,27H,2,22H2,1H3,(H,23,24,28)
InChIKeyFOLYWPJLELENBF-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.39
Rot. Bonds4

About 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 140862074) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID140862074
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccccc2O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H16F3N5O2/c1-2-11-15(16(22)26(25-11)12-5-3-4-6-13(12)27)17(28)24-14-8-7-10(9-23-14)18(19,20)21/h3-9,27H,2,22H2,1H3,(H,23,24,28)
InChIKeyFOLYWPJLELENBF-UHFFFAOYSA-N
XLogP3.39
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 140862074) is 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CCc1nn(-c2ccccc2O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is FOLYWPJLELENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-2-11-15(16(22)26(25-11)12-5-3-4-6-13(12)27)17(28)24-14-8-7-10(9-23-14)18(19,20)21/h3-9,27H,2,22H2,1H3,(H,23,24,28).
What are the key properties of 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140862074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).