2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol

C12H21F2N3O — CID 107485056

IUPAC2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1cc(CN(CCO)CC(F)F)n(CC)n1
InChIInChI=1S/C12H21F2N3O/c1-3-10-7-11(17(4-2)15-10)8-16(5-6-18)9-12(13)14/h7,12,18H,3-6,8-9H2,1-2H3
InChIKeyPWNFLGGCRMTRJU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds8

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

2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485056) has the molecular formula C12H21F2N3O and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485056
Molecular FormulaC12H21F2N3O
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1cc(CN(CCO)CC(F)F)n(CC)n1
InChIInChI=1S/C12H21F2N3O/c1-3-10-7-11(17(4-2)15-10)8-16(5-6-18)9-12(13)14/h7,12,18H,3-6,8-9H2,1-2H3
InChIKeyPWNFLGGCRMTRJU-UHFFFAOYSA-N
XLogP1.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
Ethanol, 2-[bis[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]amino]-
CID 2755571
2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 67464323
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
3-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propan-1-ol
CID 75175982
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol
CID 164642587
1,5-Dipentyl-3-(trifluoromethyl)pyrazole
CID 69918914
3-(Difluoromethyl)-1,5-dipentylpyrazole
CID 70005775
1-Butan-2-yl-5-ethyl-3-(trifluoromethyl)pyrazole
CID 70791497

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107485056) is 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol is CCc1cc(CN(CCO)CC(F)F)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is PWNFLGGCRMTRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O/c1-3-10-7-11(17(4-2)15-10)8-16(5-6-18)9-12(13)14/h7,12,18H,3-6,8-9H2,1-2H3.
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).