1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

C22H19F6N5O2 — CID 143251914

IUPAC1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESNCC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H19F6N5O2/c23-21(24,25)16-7-2-1-5-14(16)12-31-20(35)17-9-18(22(26,27)28)32-33(17)15-6-3-4-13(8-15)11-30-19(34)10-29/h1-9H,10-12,29H2,(H,30,34)(H,31,35)
InChIKeyOKWAJFMZKUDRLC-UHFFFAOYSA-N
MW499.42 g/mol
LogP3.41
Rot. Bonds7

About 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 143251914) has the molecular formula C22H19F6N5O2 and a molecular weight of 499.42 g/mol. Its IUPAC name is 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID143251914
Molecular FormulaC22H19F6N5O2
Molecular Weight499.42 g/mol
Exact Mass499.14
IUPAC Name1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESNCC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H19F6N5O2/c23-21(24,25)16-7-2-1-5-14(16)12-31-20(35)17-9-18(22(26,27)28)32-33(17)15-6-3-4-13(8-15)11-30-19(34)10-29/h1-9H,10-12,29H2,(H,30,34)(H,31,35)
InChIKeyOKWAJFMZKUDRLC-UHFFFAOYSA-N
XLogP3.41
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (CID 143251914) is 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is NCC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is OKWAJFMZKUDRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N5O2/c23-21(24,25)16-7-2-1-5-14(16)12-31-20(35)17-9-18(22(26,27)28)32-33(17)15-6-3-4-13(8-15)11-30-19(34)10-29/h1-9H,10-12,29H2,(H,30,34)(H,31,35).
What are the key properties of 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 499.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 143251914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).