[(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C10H16N4O — CID 104974772

IUPAC[(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN[C@H](C)C2)n[nH]1
InChIInChI=1S/C10H16N4O/c1-7-5-9(13-12-7)10(15)14-4-3-11-8(2)6-14/h5,8,11H,3-4,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyYFUMDBAJWASVBE-MRVPVSSYSA-N
MW208.26 g/mol
LogP0.15
Rot. Bonds1

About [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 104974772) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID104974772
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN[C@H](C)C2)n[nH]1
InChIInChI=1S/C10H16N4O/c1-7-5-9(13-12-7)10(15)14-4-3-11-8(2)6-14/h5,8,11H,3-4,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyYFUMDBAJWASVBE-MRVPVSSYSA-N
XLogP0.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 104974772) is [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN[C@H](C)C2)n[nH]1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is YFUMDBAJWASVBE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-5-9(13-12-7)10(15)14-4-3-11-8(2)6-14/h5,8,11H,3-4,6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 104974772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).