2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol

C11H14F3N5O — CID 122167820

IUPAC2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol
SMILESCn1nc(C(F)(F)F)cc1CNc1cnn(CCO)c1
InChIInChI=1S/C11H14F3N5O/c1-18-9(4-10(17-18)11(12,13)14)6-15-8-5-16-19(7-8)2-3-20/h4-5,7,15,20H,2-3,6H2,1H3
InChIKeyILWVMVNJGSUFMN-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol

2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol (PubChem CID 122167820) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol
PubChem CID122167820
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol
SMILESCn1nc(C(F)(F)F)cc1CNc1cnn(CCO)c1
InChIInChI=1S/C11H14F3N5O/c1-18-9(4-10(17-18)11(12,13)14)6-15-8-5-16-19(7-8)2-3-20/h4-5,7,15,20H,2-3,6H2,1H3
InChIKeyILWVMVNJGSUFMN-UHFFFAOYSA-N
XLogP1.24
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-Dimethyl-4-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 53616949
2-[3,5-Dimethyl-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 53522529
2-[3,5-Dimethyl-4-[(2-pyrazol-1-ylethylamino)methyl]pyrazol-1-yl]ethanol
CID 72047570
[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146193978
[1-[[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194955
[1-[[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146195333
N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-amine;hydrochloride
CID 175091436
1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175094977
N-methyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine;hydrochloride
CID 175095987
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19330840
N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19346125
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346134

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol (CID 122167820) is 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol is Cn1nc(C(F)(F)F)cc1CNc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
The InChIKey is ILWVMVNJGSUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-18-9(4-10(17-18)11(12,13)14)6-15-8-5-16-19(7-8)2-3-20/h4-5,7,15,20H,2-3,6H2,1H3.
What are the key properties of 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol?
2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol has a molecular weight of 289.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122167820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).