5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide

C19H19F3N6O2 — CID 155908680

IUPAC5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N[C@H](C)c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C19H19F3N6O2/c1-9-12(5-11-3-4-15(24-7-11)19(20,21)22)8-25-16(9)18(30)26-10(2)13-6-14(17(23)29)28-27-13/h3-4,6-8,10,25H,5H2,1-2H3,(H2,23,29)(H,26,30)(H,27,28)/t10-/m1/s1
InChIKeyYOVYZOJIMZERTC-SNVBAGLBSA-N
MW420.40 g/mol
LogP2.64
Rot. Bonds6

About 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide

5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 155908680) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID155908680
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N[C@H](C)c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C19H19F3N6O2/c1-9-12(5-11-3-4-15(24-7-11)19(20,21)22)8-25-16(9)18(30)26-10(2)13-6-14(17(23)29)28-27-13/h3-4,6-8,10,25H,5H2,1-2H3,(H2,23,29)(H,26,30)(H,27,28)/t10-/m1/s1
InChIKeyYOVYZOJIMZERTC-SNVBAGLBSA-N
XLogP2.64
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide (CID 155908680) is 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide is Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N[C@H](C)c1cc(C(N)=O)n[nH]1.
What is the InChIKey of 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YOVYZOJIMZERTC-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-9-12(5-11-3-4-15(24-7-11)19(20,21)22)8-25-16(9)18(30)26-10(2)13-6-14(17(23)29)28-27-13/h3-4,6-8,10,25H,5H2,1-2H3,(H2,23,29)(H,26,30)(H,27,28)/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide?
5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[[3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155908680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).