(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol

C14H15F3N2O2 — CID 63975892

IUPAC(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCCCn1nccc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-2-9-19-11(7-8-18-19)13(20)10-5-3-4-6-12(10)21-14(15,16)17/h3-8,13,20H,2,9H2,1H3
InChIKeyINJNEZDJWDOPLW-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.27
Rot. Bonds5

About (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol

(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 63975892) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID63975892
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCCCn1nccc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-2-9-19-11(7-8-18-19)13(20)10-5-3-4-6-12(10)21-14(15,16)17/h3-8,13,20H,2,9H2,1H3
InChIKeyINJNEZDJWDOPLW-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975893
(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 114557016
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
CID 115911605
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
CID 104504645
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol (CID 63975892) is (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol is CCCn1nccc1C(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is INJNEZDJWDOPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-2-9-19-11(7-8-18-19)13(20)10-5-3-4-6-12(10)21-14(15,16)17/h3-8,13,20H,2,9H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol?
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 300.28 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63975892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).