N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C13H19F3N4O — CID 56793074

IUPACN-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCCCNC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C13H19F3N4O/c1-2-3-4-6-17-12(21)20-7-5-10-9(8-20)11(19-18-10)13(14,15)16/h2-8H2,1H3,(H,17,21)(H,18,19)
InChIKeyITLKBJXSQOKQSW-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.69
Rot. Bonds4

About N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56793074) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56793074
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCCCNC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C13H19F3N4O/c1-2-3-4-6-17-12(21)20-7-5-10-9(8-20)11(19-18-10)13(14,15)16/h2-8H2,1H3,(H,17,21)(H,18,19)
InChIKeyITLKBJXSQOKQSW-UHFFFAOYSA-N
XLogP2.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56793074) is N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CCCCCNC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is ITLKBJXSQOKQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-3-4-6-17-12(21)20-7-5-10-9(8-20)11(19-18-10)13(14,15)16/h2-8H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56793074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).