4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane

C39H36BrF5N8O2 — CID 161285599

IUPAC4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane
SMILESC.Cc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1.FC(F)(F)c1cc(Br)ccn1.O=C(Nc1ccn[nH]1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O.C13H12FN3O.C6H3BrF3N.CH4/c1-13-12-14(6-10-21-13)24-11-7-17(23-24)22-18(25)19(8-9-19)15-4-2-3-5-16(15)20;14-10-4-2-1-3-9(10)13(6-7-13)12(18)16-11-5-8-15-17-11;7-4-1-2-11-5(3-4)6(8,9)10;/h2-7,10-12H,8-9H2,1H3,(H,22,23,25);1-5,8H,6-7H2,(H2,15,16,17,18);1-3H;1H4
InChIKeyVFRFDRKHPLHSKC-UHFFFAOYSA-N
MW823.67 g/mol
LogP9.10
Rot. Bonds7

About 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane

4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane (PubChem CID 161285599) has the molecular formula C39H36BrF5N8O2 and a molecular weight of 823.67 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane
PubChem CID161285599
Molecular FormulaC39H36BrF5N8O2
Molecular Weight823.67 g/mol
Exact Mass822.21
IUPAC Name4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane
SMILESC.Cc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1.FC(F)(F)c1cc(Br)ccn1.O=C(Nc1ccn[nH]1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O.C13H12FN3O.C6H3BrF3N.CH4/c1-13-12-14(6-10-21-13)24-11-7-17(23-24)22-18(25)19(8-9-19)15-4-2-3-5-16(15)20;14-10-4-2-1-3-9(10)13(6-7-13)12(18)16-11-5-8-15-17-11;7-4-1-2-11-5(3-4)6(8,9)10;/h2-7,10-12H,8-9H2,1H3,(H,22,23,25);1-5,8H,6-7H2,(H2,15,16,17,18);1-3H;1H4
InChIKeyVFRFDRKHPLHSKC-UHFFFAOYSA-N
XLogP9.10
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.67
LogP ≤ 59.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane?
The IUPAC name of 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane (CID 161285599) is 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane is C.Cc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1.FC(F)(F)c1cc(Br)ccn1.O=C(Nc1ccn[nH]1)C1(c2ccccc2F)CC1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane?
The InChIKey is VFRFDRKHPLHSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O.C13H12FN3O.C6H3BrF3N.CH4/c1-13-12-14(6-10-21-13)24-11-7-17(23-24)22-18(25)19(8-9-19)15-4-2-3-5-16(15)20;14-10-4-2-1-3-9(10)13(6-7-13)12(18)16-11-5-8-15-17-11;7-4-1-2-11-5(3-4)6(8,9)10;/h2-7,10-12H,8-9H2,1H3,(H,22,23,25);1-5,8H,6-7H2,(H2,15,16,17,18);1-3H;1H4.
What are the key properties of 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane?
4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane has a molecular weight of 823.67 g/mol, XLogP of 9.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)pyridine;1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;methane is sourced from PubChem (CID 161285599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).