2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol

C13H22F2N4O — CID 107481397

IUPAC2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1CNC1CC1
InChIInChI=1S/C13H22F2N4O/c1-9-11(7-16-10-3-4-10)13(18(2)17-9)19(5-6-20)8-12(14)15/h10,12,16,20H,3-8H2,1-2H3
InChIKeyHFGVIDFVKOASHF-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.04
Rot. Bonds8

About 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol

2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107481397) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107481397
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)F)c1CNC1CC1
InChIInChI=1S/C13H22F2N4O/c1-9-11(7-16-10-3-4-10)13(18(2)17-9)19(5-6-20)8-12(14)15/h10,12,16,20H,3-8H2,1-2H3
InChIKeyHFGVIDFVKOASHF-UHFFFAOYSA-N
XLogP1.04
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol with MolForge

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Related Compounds

1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51104838
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine
CID 51105035
[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 1485639
1-Butyl-3-[2-(2-hydroxyethyl)-4,5-dimethylpyrazol-3-yl]urea
CID 71907571
2-[3-[4-Methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 123345500
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008928
N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009217
N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009264
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009267
[5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55010488

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107481397) is 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol is Cc1nn(C)c(N(CCO)CC(F)F)c1CNC1CC1.
What is the InChIKey of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is HFGVIDFVKOASHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-9-11(7-16-10-3-4-10)13(18(2)17-9)19(5-6-20)8-12(14)15/h10,12,16,20H,3-8H2,1-2H3.
What are the key properties of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 288.34 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107481397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).