1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol

C12H14FN3O — CID 79769940

IUPAC1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
SMILESCn1cc(NCC(O)c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O/c1-16-8-9(6-15-16)14-7-12(17)10-4-2-3-5-11(10)13/h2-6,8,12,14,17H,7H2,1H3
InChIKeyWUUZULIJNXWZNY-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.70
Rot. Bonds4

About 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol

1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol (PubChem CID 79769940) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
PubChem CID79769940
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
SMILESCn1cc(NCC(O)c2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O/c1-16-8-9(6-15-16)14-7-12(17)10-4-2-3-5-11(10)13/h2-6,8,12,14,17H,7H2,1H3
InChIKeyWUUZULIJNXWZNY-UHFFFAOYSA-N
XLogP1.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779553
1-(furan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79770661
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-[(1-methylpyrazol-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79770392
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol (CID 79769940) is 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol is Cn1cc(NCC(O)c2ccccc2F)cn1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol?
The InChIKey is WUUZULIJNXWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16-8-9(6-15-16)14-7-12(17)10-4-2-3-5-11(10)13/h2-6,8,12,14,17H,7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol?
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol has a molecular weight of 235.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol is sourced from PubChem (CID 79769940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).