4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol

C8H12F3N3O — CID 139349291

IUPAC4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(CCn1cc(N)cn1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-7(15,8(9,10)11)2-3-14-5-6(12)4-13-14/h4-5,15H,2-3,12H2,1H3
InChIKeySEXVCBANZLNHNV-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.17
Rot. Bonds3

About 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol

4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol (PubChem CID 139349291) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol
PubChem CID139349291
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(CCn1cc(N)cn1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-7(15,8(9,10)11)2-3-14-5-6(12)4-13-14/h4-5,15H,2-3,12H2,1H3
InChIKeySEXVCBANZLNHNV-UHFFFAOYSA-N
XLogP1.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 67112158
1-(2,2,2-Trifluoro-1-methyl-ethyl)pyrazol-4-amine
CID 151769896
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
1-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]pyrazol-4-amine
CID 99703565
1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine
CID 50896552
1-(5,5-Difluoro-hexyl)-1H-pyrazol-4-ylamine
CID 66929172
1-(3,3-Difluoropropyl)pyrazol-4-amine
CID 84651169
1-[4-Amino-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 90105558
1-(4,4,4-Trifluorobutyl)-1h-pyrazol-4-amine
CID 97178850
N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 115922513
1-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 118365555
1-[(3,3-difluorocyclobutyl)methyl]-1H-pyrazol-4-amine
CID 122240415

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol?
The IUPAC name of 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol (CID 139349291) is 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol is CC(O)(CCn1cc(N)cn1)C(F)(F)F.
What is the InChIKey of 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol?
The InChIKey is SEXVCBANZLNHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-7(15,8(9,10)11)2-3-14-5-6(12)4-13-14/h4-5,15H,2-3,12H2,1H3.
What are the key properties of 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol?
4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrazol-1-yl)-1,1,1-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 139349291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).