2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C10H17F3N4O — CID 107478502

IUPAC2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)(F)F)c1CN
InChIInChI=1S/C10H17F3N4O/c1-7-8(5-14)9(16(2)15-7)17(3-4-18)6-10(11,12)13/h18H,3-6,14H2,1-2H3
InChIKeyPUCMBANOKXZYQV-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.55
Rot. Bonds5

About 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478502) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478502
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)(F)F)c1CN
InChIInChI=1S/C10H17F3N4O/c1-7-8(5-14)9(16(2)15-7)17(3-4-18)6-10(11,12)13/h18H,3-6,14H2,1-2H3
InChIKeyPUCMBANOKXZYQV-UHFFFAOYSA-N
XLogP0.55
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478502) is 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nn(C)c(N(CCO)CC(F)(F)F)c1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is PUCMBANOKXZYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-7-8(5-14)9(16(2)15-7)17(3-4-18)6-10(11,12)13/h18H,3-6,14H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 266.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).