6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide

C11H9ClF3N5O — CID 166319482

IUPAC6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1nc(Cl)c(NC(=O)c2cccc(N)n2)c1C(F)(F)F
InChIInChI=1S/C11H9ClF3N5O/c1-20-8(11(13,14)15)7(9(12)19-20)18-10(21)5-3-2-4-6(16)17-5/h2-4H,1H3,(H2,16,17)(H,18,21)
InChIKeyNSUWCCGIAMRERV-UHFFFAOYSA-N
MW319.67 g/mol
LogP2.32
Rot. Bonds2

About 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide

6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 166319482) has the molecular formula C11H9ClF3N5O and a molecular weight of 319.67 g/mol. Its IUPAC name is 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID166319482
Molecular FormulaC11H9ClF3N5O
Molecular Weight319.67 g/mol
Exact Mass319.04
IUPAC Name6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1nc(Cl)c(NC(=O)c2cccc(N)n2)c1C(F)(F)F
InChIInChI=1S/C11H9ClF3N5O/c1-20-8(11(13,14)15)7(9(12)19-20)18-10(21)5-3-2-4-6(16)17-5/h2-4H,1H3,(H2,16,17)(H,18,21)
InChIKeyNSUWCCGIAMRERV-UHFFFAOYSA-N
XLogP2.32
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 166319482) is 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide is Cn1nc(Cl)c(NC(=O)c2cccc(N)n2)c1C(F)(F)F.
What is the InChIKey of 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is NSUWCCGIAMRERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O/c1-20-8(11(13,14)15)7(9(12)19-20)18-10(21)5-3-2-4-6(16)17-5/h2-4H,1H3,(H2,16,17)(H,18,21).
What are the key properties of 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide?
6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 319.67 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166319482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).