1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine

C14H16F3N3O — CID 83207724

IUPAC1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine
SMILESCCC(C)n1cc(N)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H16F3N3O/c1-3-9(2)20-8-12(18)13(19-20)10-4-6-11(7-5-10)21-14(15,16)17/h4-9H,3,18H2,1-2H3
InChIKeyOKWQMNZIRFGKGS-UHFFFAOYSA-N
MW299.30 g/mol
LogP4.00
Rot. Bonds4

About 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine

1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine (PubChem CID 83207724) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine
PubChem CID83207724
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine
SMILESCCC(C)n1cc(N)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H16F3N3O/c1-3-9(2)20-8-12(18)13(19-20)10-4-6-11(7-5-10)21-14(15,16)17/h4-9H,3,18H2,1-2H3
InChIKeyOKWQMNZIRFGKGS-UHFFFAOYSA-N
XLogP4.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
CID 83222885
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849121
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431
1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391053
1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
CID 62646957
1-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 165482366
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
3-(1,1-difluoroprop-2-enyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
CID 134555661
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine?
The IUPAC name of 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine (CID 83207724) is 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine is CCC(C)n1cc(N)c(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine?
The InChIKey is OKWQMNZIRFGKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-3-9(2)20-8-12(18)13(19-20)10-4-6-11(7-5-10)21-14(15,16)17/h4-9H,3,18H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine?
1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine has a molecular weight of 299.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine is sourced from PubChem (CID 83207724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).