(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine

C14H17FN4 — CID 121448630

IUPAC(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1cc(F)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C14H17FN4/c1-10-7-16-2-3-19(10)14-5-11(4-13(15)6-14)12-8-17-18-9-12/h4-6,8-10,16H,2-3,7H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyZHEHNHDSADJSEL-JTQLQIEISA-N
MW260.32 g/mol
LogP2.01
Rot. Bonds2

About (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine

(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine (PubChem CID 121448630) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
PubChem CID121448630
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1cc(F)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C14H17FN4/c1-10-7-16-2-3-19(10)14-5-11(4-13(15)6-14)12-8-17-18-9-12/h4-6,8-10,16H,2-3,7H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyZHEHNHDSADJSEL-JTQLQIEISA-N
XLogP2.01
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 59822612
(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine
CID 69230449
1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine
CID 11507185
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
CID 59822611
tert-butyl 4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazine-1-carboxylate
CID 174993163
(2S)-3-[(2S)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(2R)-3-[(2R)-2-cyclopropyl-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid;(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione;(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine
CID 159795761
(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
CID 121448637
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
(5R)-5-cyclopropyl-5-[(2R)-3-[(3S)-4-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione
CID 159597636

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine (CID 121448630) is (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine is C[C@H]1CNCCN1c1cc(F)cc(-c2cn[nH]c2)c1.
What is the InChIKey of (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?
The InChIKey is ZHEHNHDSADJSEL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-7-16-2-3-19(10)14-5-11(4-13(15)6-14)12-8-17-18-9-12/h4-6,8-10,16H,2-3,7H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine?
(2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine has a molecular weight of 260.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-fluoro-5-(1H-pyrazol-4-yl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 121448630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).