(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine

C10H18N4 — CID 130644711

IUPAC(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCc1[nH]ncc1CN1CCN[C@H](C)C1
InChIInChI=1S/C10H18N4/c1-8-6-14(4-3-11-8)7-10-5-12-13-9(10)2/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyMTVJWGGFESDJFT-MRVPVSSYSA-N
MW194.28 g/mol
LogP0.51
Rot. Bonds2

About (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine

(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine (PubChem CID 130644711) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
PubChem CID130644711
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCc1[nH]ncc1CN1CCN[C@H](C)C1
InChIInChI=1S/C10H18N4/c1-8-6-14(4-3-11-8)7-10-5-12-13-9(10)2/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyMTVJWGGFESDJFT-MRVPVSSYSA-N
XLogP0.51
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
CID 120840166
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 39221504
3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702066
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120840165
(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120845541
4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine
CID 131089524
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine
CID 65416150
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine
CID 104975402

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine (CID 130644711) is (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine is Cc1[nH]ncc1CN1CCN[C@H](C)C1.
What is the InChIKey of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The InChIKey is MTVJWGGFESDJFT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-6-14(4-3-11-8)7-10-5-12-13-9(10)2/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 130644711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).