3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

C8H10ClF3N2O — CID 63901873

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCc1nn(CC(O)C(F)(F)F)c(C)c1Cl
InChIInChI=1S/C8H10ClF3N2O/c1-4-7(9)5(2)14(13-4)3-6(15)8(10,11)12/h6,15H,3H2,1-2H3
InChIKeyPTDLKWBOUSJBIQ-UHFFFAOYSA-N
MW242.63 g/mol
LogP2.08
Rot. Bonds2

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901873) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.63 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63901873
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.63 g/mol
Exact Mass242.04
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCc1nn(CC(O)C(F)(F)F)c(C)c1Cl
InChIInChI=1S/C8H10ClF3N2O/c1-4-7(9)5(2)14(13-4)3-6(15)8(10,11)12/h6,15H,3H2,1-2H3
InChIKeyPTDLKWBOUSJBIQ-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methanol
CID 7018577
(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
CID 1876853
ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 757300
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 17024557
isopropyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 779330
[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid
CID 1229759
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19616519
2-[3,4-Dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514645
4-Chloro-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59833740
4-Chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 59833762
2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-1-(piperidin-4-yl)ethanol
CID 68556192
2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 70669464

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (CID 63901873) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is Cc1nn(CC(O)C(F)(F)F)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is PTDLKWBOUSJBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O/c1-4-7(9)5(2)14(13-4)3-6(15)8(10,11)12/h6,15H,3H2,1-2H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 242.63 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).