(2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol

C17H23FN4O — CID 95333559

IUPAC(2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H23FN4O/c1-14(23)12-20-7-9-21(10-8-20)13-16-5-6-22(19-16)17-4-2-3-15(18)11-17/h2-6,11,14,23H,7-10,12-13H2,1H3/t14-/m1/s1
InChIKeyMMJWTNVVRGHFOP-CQSZACIVSA-N
MW318.40 g/mol
LogP1.51
Rot. Bonds5

About (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol

(2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95333559) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol
PubChem CID95333559
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name(2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H23FN4O/c1-14(23)12-20-7-9-21(10-8-20)13-16-5-6-22(19-16)17-4-2-3-15(18)11-17/h2-6,11,14,23H,7-10,12-13H2,1H3/t14-/m1/s1
InChIKeyMMJWTNVVRGHFOP-CQSZACIVSA-N
XLogP1.51
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol (CID 95333559) is (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is MMJWTNVVRGHFOP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-14(23)12-20-7-9-21(10-8-20)13-16-5-6-22(19-16)17-4-2-3-15(18)11-17/h2-6,11,14,23H,7-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 318.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95333559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).