2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol

C13H24F2N4O — CID 107481446

IUPAC2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
SMILESCCCNCc1c(C)nn(C)c1N(CCO)CC(F)F
InChIInChI=1S/C13H24F2N4O/c1-4-5-16-8-11-10(2)17-18(3)13(11)19(6-7-20)9-12(14)15/h12,16,20H,4-9H2,1-3H3
InChIKeyNLNCAVKYJZWPEK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.29
Rot. Bonds9

About 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol

2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol (PubChem CID 107481446) has the molecular formula C13H24F2N4O and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
PubChem CID107481446
Molecular FormulaC13H24F2N4O
Molecular Weight290.36 g/mol
Exact Mass290.19
IUPAC Name2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
SMILESCCCNCc1c(C)nn(C)c1N(CCO)CC(F)F
InChIInChI=1S/C13H24F2N4O/c1-4-5-16-8-11-10(2)17-18(3)13(11)19(6-7-20)9-12(14)15/h12,16,20H,4-9H2,1-3H3
InChIKeyNLNCAVKYJZWPEK-UHFFFAOYSA-N
XLogP1.29
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
2-[cyclopropyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 54994821
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol
CID 102864776
4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
CID 63058730
N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
CID 61437594
N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280836
2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide
CID 43375197
2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 61447056

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol (CID 107481446) is 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol is CCCNCc1c(C)nn(C)c1N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol?
The InChIKey is NLNCAVKYJZWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N4O/c1-4-5-16-8-11-10(2)17-18(3)13(11)19(6-7-20)9-12(14)15/h12,16,20H,4-9H2,1-3H3.
What are the key properties of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol?
2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol has a molecular weight of 290.36 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol is sourced from PubChem (CID 107481446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).