(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine

C9H16N4 — CID 130569472

IUPAC(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
SMILESC[C@H]1CNCCN1Cc1cn[nH]c1
InChIInChI=1S/C9H16N4/c1-8-4-10-2-3-13(8)7-9-5-11-12-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyMNOZLNAEYDWKED-QMMMGPOBSA-N
MW180.25 g/mol
LogP0.20
Rot. Bonds2

About (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine

(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine (PubChem CID 130569472) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
PubChem CID130569472
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
SMILESC[C@H]1CNCCN1Cc1cn[nH]c1
InChIInChI=1S/C9H16N4/c1-8-4-10-2-3-13(8)7-9-5-11-12-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyMNOZLNAEYDWKED-QMMMGPOBSA-N
XLogP0.20
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine (CID 130569472) is (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine is C[C@H]1CNCCN1Cc1cn[nH]c1.
What is the InChIKey of (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
The InChIKey is MNOZLNAEYDWKED-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4/c1-8-4-10-2-3-13(8)7-9-5-11-12-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine is sourced from PubChem (CID 130569472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).