5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide

C18H23F3N4O — CID 134508383

IUPAC5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide
SMILESCCc1nn(C(c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(N)c1C(N)=O
InChIInChI=1S/C18H23F3N4O/c1-5-12-13(16(23)26)15(22)25(24-12)14(17(2,3)4)10-6-8-11(9-7-10)18(19,20)21/h6-9,14H,5,22H2,1-4H3,(H2,23,26)
InChIKeyAPHGYOBVOHTFQA-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.78
Rot. Bonds4

About 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide

5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide (PubChem CID 134508383) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide
PubChem CID134508383
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide
SMILESCCc1nn(C(c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(N)c1C(N)=O
InChIInChI=1S/C18H23F3N4O/c1-5-12-13(16(23)26)15(22)25(24-12)14(17(2,3)4)10-6-8-11(9-7-10)18(19,20)21/h6-9,14H,5,22H2,1-4H3,(H2,23,26)
InChIKeyAPHGYOBVOHTFQA-UHFFFAOYSA-N
XLogP3.78
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-ethyl-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 134508377
5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 134508370
1-[1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-4-formyl-3-(hydroxymethyl)pyrazol-5-yl]-3-methylurea
CID 155149777
1-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-(fluoromethyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 137276462
1-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-(2,2,2-trifluoroethyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 137276418
1-[(1S)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 137276321
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
2-methyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 61219595
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86315213
3-ethyl-6-methyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137277590

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide (CID 134508383) is 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide is CCc1nn(C(c2ccc(C(F)(F)F)cc2)C(C)(C)C)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide?
The InChIKey is APHGYOBVOHTFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-5-12-13(16(23)26)15(22)25(24-12)14(17(2,3)4)10-6-8-11(9-7-10)18(19,20)21/h6-9,14H,5,22H2,1-4H3,(H2,23,26).
What are the key properties of 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide?
5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-3-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 134508383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).