2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol

C15H19F3N2O — CID 142923056

IUPAC2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol
SMILESCC1=NN(c2ccc(C(F)(F)F)cc2)CC1C(O)C(C)C
InChIInChI=1S/C15H19F3N2O/c1-9(2)14(21)13-8-20(19-10(13)3)12-6-4-11(5-7-12)15(16,17)18/h4-7,9,13-14,21H,8H2,1-3H3
InChIKeyHPZFEPKSROUCCG-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.53
Rot. Bonds3

About 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol

2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol (PubChem CID 142923056) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol
PubChem CID142923056
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol
SMILESCC1=NN(c2ccc(C(F)(F)F)cc2)CC1C(O)C(C)C
InChIInChI=1S/C15H19F3N2O/c1-9(2)14(21)13-8-20(19-10(13)3)12-6-4-11(5-7-12)15(16,17)18/h4-7,9,13-14,21H,8H2,1-3H3
InChIKeyHPZFEPKSROUCCG-UHFFFAOYSA-N
XLogP3.53
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 97337783
2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol
CID 162350913
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol
CID 141404881
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64925755
1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine
CID 55257621
N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine
CID 63854243
5-methyl-2-propan-2-yl-1-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazole
CID 141300302
ethane;2-methyl-2-[4-[2-[6-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-5-yl]ethyl]phenoxy]propanoic acid
CID 142923054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol (CID 142923056) is 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol is CC1=NN(c2ccc(C(F)(F)F)cc2)CC1C(O)C(C)C.
What is the InChIKey of 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol?
The InChIKey is HPZFEPKSROUCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9(2)14(21)13-8-20(19-10(13)3)12-6-4-11(5-7-12)15(16,17)18/h4-7,9,13-14,21H,8H2,1-3H3.
What are the key properties of 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol?
2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol has a molecular weight of 300.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 142923056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).