2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol

C14H18FN3O — CID 71844344

IUPAC2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2cccc(F)c2)c1C
InChIInChI=1S/C14H18FN3O/c1-10-11(2)17-18(6-7-19)14(10)16-9-12-4-3-5-13(15)8-12/h3-5,8,16,19H,6-7,9H2,1-2H3
InChIKeyTXCYGWZVNCDSSD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.24
Rot. Bonds5

About 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol

2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol (PubChem CID 71844344) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
PubChem CID71844344
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2cccc(F)c2)c1C
InChIInChI=1S/C14H18FN3O/c1-10-11(2)17-18(6-7-19)14(10)16-9-12-4-3-5-13(15)8-12/h3-5,8,16,19H,6-7,9H2,1-2H3
InChIKeyTXCYGWZVNCDSSD-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905557
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
4-bromo-5-[(3-fluorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432816
N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168375
2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
CID 136551906
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126966938
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
2-[4-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752494

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol (CID 71844344) is 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(NCc2cccc(F)c2)c1C.
What is the InChIKey of 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
The InChIKey is TXCYGWZVNCDSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10-11(2)17-18(6-7-19)14(10)16-9-12-4-3-5-13(15)8-12/h3-5,8,16,19H,6-7,9H2,1-2H3.
What are the key properties of 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol?
2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol has a molecular weight of 263.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 71844344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).