3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide

C18H15F3N4O — CID 143035625

IUPAC3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCNc1nn(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C(N)=O
InChIInChI=1S/C18H15F3N4O/c1-23-17-15(16(22)26)10-25(24-17)14-8-4-12(5-9-14)11-2-6-13(7-3-11)18(19,20)21/h2-10H,1H3,(H2,22,26)(H,23,24)
InChIKeyAICPSOYSJHQOCP-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.70
Rot. Bonds4

About 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide

3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 143035625) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID143035625
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCNc1nn(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C(N)=O
InChIInChI=1S/C18H15F3N4O/c1-23-17-15(16(22)26)10-25(24-17)14-8-4-12(5-9-14)11-2-6-13(7-3-11)18(19,20)21/h2-10H,1H3,(H2,22,26)(H,23,24)
InChIKeyAICPSOYSJHQOCP-UHFFFAOYSA-N
XLogP3.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[ethenyl-[(Z)-ethylideneamino]amino]phenyl]phenyl]-3-(methylamino)pyrazole-4-carboxamide
CID 143035610
1-(4-tert-butylphenyl)-3-(4-methylsulfonylanilino)pyrazole-4-carboxamide
CID 44610682
3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide
CID 143035557
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
2-[4-[(1S)-1-iodo-1-(methylamino)ethyl]phenyl]indazole-7-carboxamide
CID 87725791
methyl 3-(4-carbamoylphenyl)-5-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]benzoate
CID 139392155
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
3-[1-[4-[4-(aminomethyl)triazol-1-yl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118374821
1-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-3-phenylpyrazole-4-carboxylic acid
CID 56714980
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (CID 143035625) is 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is CNc1nn(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C(N)=O.
What is the InChIKey of 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is AICPSOYSJHQOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-23-17-15(16(22)26)10-25(24-17)14-8-4-12(5-9-14)11-2-6-13(7-3-11)18(19,20)21/h2-10H,1H3,(H2,22,26)(H,23,24).
What are the key properties of 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 143035625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).