methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate

C11H9F3N4O2 — CID 23055532

IUPACmethyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N)n[nH]c1-c1ncccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-20-10(19)6-8(17-18-9(6)15)7-5(11(12,13)14)3-2-4-16-7/h2-4H,1H3,(H3,15,17,18)
InChIKeyUZNVSKPYPKNPGP-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.86
Rot. Bonds2

About methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate

methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate (PubChem CID 23055532) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate
PubChem CID23055532
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Namemethyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N)n[nH]c1-c1ncccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-20-10(19)6-8(17-18-9(6)15)7-5(11(12,13)14)3-2-4-16-7/h2-4H,1H3,(H3,15,17,18)
InChIKeyUZNVSKPYPKNPGP-UHFFFAOYSA-N
XLogP1.86
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-sulfanylidene-5-[3-(trifluoromethyl)-2-pyridinyl]-1,2-dihydropyrazole-4-carboxylate
CID 70472222
methyl 3-amino-5-(4-methylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate
CID 23055477
2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 59811149
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
methyl 3-amino-5-tert-butyl-1H-pyrazole-4-carboxylate
CID 45275143
methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate
CID 59553883
methyl 2-bromo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 118704454
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
methyl 2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134633977
tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate
CID 175983977
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate (CID 23055532) is methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate is COC(=O)c1c(N)n[nH]c1-c1ncccc1C(F)(F)F.
What is the InChIKey of methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate?
The InChIKey is UZNVSKPYPKNPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-20-10(19)6-8(17-18-9(6)15)7-5(11(12,13)14)3-2-4-16-7/h2-4H,1H3,(H3,15,17,18).
What are the key properties of methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate?
methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate has a molecular weight of 286.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 23055532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).