methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate

C11H10F2N4O2 — CID 138694963

IUPACmethyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(N)c(C(F)F)n2)cn1
InChIInChI=1S/C11H10F2N4O2/c1-19-11(18)8-3-2-6(4-15-8)17-5-7(14)9(16-17)10(12)13/h2-5,10H,14H2,1H3
InChIKeyGHNGADDFOLKKHM-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.57
Rot. Bonds3

About methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate

methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate (PubChem CID 138694963) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate
PubChem CID138694963
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC Namemethyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(N)c(C(F)F)n2)cn1
InChIInChI=1S/C11H10F2N4O2/c1-19-11(18)8-3-2-6(4-15-8)17-5-7(14)9(16-17)10(12)13/h2-5,10H,14H2,1H3
InChIKeyGHNGADDFOLKKHM-UHFFFAOYSA-N
XLogP1.57
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 612416
US9840501, Example 98
CID 118484928
US9840501, Example 92
CID 118485042
methyl 3-chloro-5-(1-(1-oxo-1,2-dihydroisoquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 156601138
Methyl 5-aminopyridine-2-carboxylate
CID 12457877
Ethyl 5-aminopyridine-2-carboxylate
CID 13816714
methyl 1H-pyrazolo[4,3-b]pyridine-5-carboxylate
CID 59763244
Methyl 5-(butylamino)pyridine-2-carboxylate
CID 12640213
N-(1-ethylpyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 72005776
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[[(2-pyridinylmethyl)amino]carbonyl]-, ethyl ester
CID 16762327
Platinum(2+);pyridine-2-carboxylate;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 178340778
Methyl 5-(dimethylamino)-2-pyridinecarboxylate
CID 13730706

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate (CID 138694963) is methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate is COC(=O)c1ccc(-n2cc(N)c(C(F)F)n2)cn1.
What is the InChIKey of methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate?
The InChIKey is GHNGADDFOLKKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c1-19-11(18)8-3-2-6(4-15-8)17-5-7(14)9(16-17)10(12)13/h2-5,10H,14H2,1H3.
What are the key properties of methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate?
methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate has a molecular weight of 268.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 138694963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).