5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C20H19F3N4O2 — CID 134559092

IUPAC5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(COCc2ccccc2)nn(Cc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)15-8-6-13(7-9-15)10-27-18(24)17(19(25)28)16(26-27)12-29-11-14-4-2-1-3-5-14/h1-9H,10-12,24H2,(H2,25,28)
InChIKeyKIFOFTNZFIKOGR-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.35
Rot. Bonds7

About 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 134559092) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID134559092
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1c(COCc2ccccc2)nn(Cc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)15-8-6-13(7-9-15)10-27-18(24)17(19(25)28)16(26-27)12-29-11-14-4-2-1-3-5-14/h1-9H,10-12,24H2,(H2,25,28)
InChIKeyKIFOFTNZFIKOGR-UHFFFAOYSA-N
XLogP3.35
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135567412
PDE2 inhibitor 4
CID 137106900
US10174037, Example 42
CID 124109025
benzyl 4-(5-amino-4-carbamoyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 59843238
5-Amino-1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-3-(phenylmethoxymethyl)pyrazole-4-carbonitrile
CID 124109008
5-Amino-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-3-(phenylmethoxymethyl)pyrazole-4-carboxamide
CID 124109016
5-Amino-1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazole-4-carboxamide
CID 124109031
5-Acetamido-3-(hydroxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 124109112
5-Amino-3-(phenylmethoxymethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 124109213
5-Amino-1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-3-(hydroxymethyl)pyrazole-4-carboxamide
CID 124109364
5-Amino-3-(2-phenylmethoxyethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 124109470
5-Amino-1-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]-3-(hydroxymethyl)pyrazole-4-carboxamide
CID 124109513

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 134559092) is 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is NC(=O)c1c(COCc2ccccc2)nn(Cc2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is KIFOFTNZFIKOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)15-8-6-13(7-9-15)10-27-18(24)17(19(25)28)16(26-27)12-29-11-14-4-2-1-3-5-14/h1-9H,10-12,24H2,(H2,25,28).
What are the key properties of 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(phenylmethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134559092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).