N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H11F3N4O — CID 116786761

IUPACN-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnn1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9(3-5-14-6-9)8(18)16-7-2-1-4-15-17-7/h1-2,4,14H,3,5-6H2,(H,16,17,18)
InChIKeyLJTVVNNUAVCPOQ-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.96
Rot. Bonds2

About N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 116786761) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID116786761
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC NameN-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnn1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9(3-5-14-6-9)8(18)16-7-2-1-4-15-17-7/h1-2,4,14H,3,5-6H2,(H,16,17,18)
InChIKeyLJTVVNNUAVCPOQ-UHFFFAOYSA-N
XLogP0.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 116786761) is N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1cccnn1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is LJTVVNNUAVCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)9(3-5-14-6-9)8(18)16-7-2-1-4-15-17-7/h1-2,4,14H,3,5-6H2,(H,16,17,18).
What are the key properties of N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 260.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 116786761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).