2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol

C18H24F2N4O — CID 135209019

IUPAC2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESCCN1CCN(CC(O)(Cn2cccn2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H24F2N4O/c1-2-22-8-10-23(11-9-22)13-18(25,14-24-7-3-6-21-24)16-5-4-15(19)12-17(16)20/h3-7,12,25H,2,8-11,13-14H2,1H3
InChIKeyTUHPTLLSILTRBU-UHFFFAOYSA-N
MW350.41 g/mol
LogP1.69
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol

2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 135209019) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol
PubChem CID135209019
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESCCN1CCN(CC(O)(Cn2cccn2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H24F2N4O/c1-2-22-8-10-23(11-9-22)13-18(25,14-24-7-3-6-21-24)16-5-4-15(19)12-17(16)20/h3-7,12,25H,2,8-11,13-14H2,1H3
InChIKeyTUHPTLLSILTRBU-UHFFFAOYSA-N
XLogP1.69
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 135209016
2-(2,4-difluorophenyl)-1-(4-ethylidenepiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 145196921
(2S)-2-(2,4-difluorophenyl)-1-(4-ethylidenepiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 145196912
2-(2,4-difluorophenyl)-1-[4-(pyridin-4-ylmethoxy)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 101415903
2-(2,4-difluorophenyl)-1-(1-pentan-2-yloxyhexylamino)-3-pyrazol-1-ylpropan-2-ol
CID 135209006
2-(2,4-difluorophenyl)-1-[4-(4-phenoxybutyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 42623939
2-(2,4-difluorophenyl)-1-[4-[4-(4-fluorophenyl)phenyl]-1,4-diazepan-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 156821603
(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 67853018
2-(2,4-difluorophenyl)-1-[4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 170650615
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
1-[4-(4-benzylanilino)piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 156821600
1-[4-[(2-bromophenyl)methoxyimino]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 46844035

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol (CID 135209019) is 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol is CCN1CCN(CC(O)(Cn2cccn2)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is TUHPTLLSILTRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-2-22-8-10-23(11-9-22)13-18(25,14-24-7-3-6-21-24)16-5-4-15(19)12-17(16)20/h3-7,12,25H,2,8-11,13-14H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 350.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 135209019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).