(2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine

C9H16N4 — CID 96902609

IUPAC(2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCNC[C@@H]2C)n[nH]1
InChIInChI=1S/C9H16N4/c1-7-5-9(12-11-7)13-4-3-10-6-8(13)2/h5,8,10H,3-4,6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyGTIPCWVNQJGOIA-QMMMGPOBSA-N
MW180.25 g/mol
LogP0.52
Rot. Bonds1

About (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine

(2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine (PubChem CID 96902609) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine
PubChem CID96902609
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCNC[C@@H]2C)n[nH]1
InChIInChI=1S/C9H16N4/c1-7-5-9(12-11-7)13-4-3-10-6-8(13)2/h5,8,10H,3-4,6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyGTIPCWVNQJGOIA-QMMMGPOBSA-N
XLogP0.52
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.52
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-(5-methyl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine (CID 96902609) is (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine is Cc1cc(N2CCNC[C@@H]2C)n[nH]1.
What is the InChIKey of (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine?
The InChIKey is GTIPCWVNQJGOIA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-5-9(12-11-7)13-4-3-10-6-8(13)2/h5,8,10H,3-4,6H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine?
(2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(5-methyl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 96902609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).