(2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid

C10H15FN4O2 — CID 70980967

IUPAC(2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN[C@@H](Cn2cc(F)cn2)CN1C(=O)O
InChIInChI=1S/C10H15FN4O2/c1-7-2-12-9(6-15(7)10(16)17)5-14-4-8(11)3-13-14/h3-4,7,9,12H,2,5-6H2,1H3,(H,16,17)/t7-,9+/m1/s1
InChIKeyBBAIKOKPKGIZDQ-APPZFPTMSA-N
MW242.25 g/mol
LogP0.36
Rot. Bonds2

About (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid

(2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid (PubChem CID 70980967) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid
PubChem CID70980967
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name(2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN[C@@H](Cn2cc(F)cn2)CN1C(=O)O
InChIInChI=1S/C10H15FN4O2/c1-7-2-12-9(6-15(7)10(16)17)5-14-4-8(11)3-13-14/h3-4,7,9,12H,2,5-6H2,1H3,(H,16,17)/t7-,9+/m1/s1
InChIKeyBBAIKOKPKGIZDQ-APPZFPTMSA-N
XLogP0.36
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid (CID 70980967) is (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid is C[C@@H]1CN[C@@H](Cn2cc(F)cn2)CN1C(=O)O.
What is the InChIKey of (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid?
The InChIKey is BBAIKOKPKGIZDQ-APPZFPTMSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-7-2-12-9(6-15(7)10(16)17)5-14-4-8(11)3-13-14/h3-4,7,9,12H,2,5-6H2,1H3,(H,16,17)/t7-,9+/m1/s1.
What are the key properties of (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid?
(2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid has a molecular weight of 242.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 70980967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).