[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

C15H24N4O2 — CID 129399632

IUPAC[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-14(4-3-9-21-12)15(20)19-7-5-18(6-8-19)13-10-16-17(2)11-13/h10-12,14H,3-9H2,1-2H3/t12-,14-/m1/s1
InChIKeyCBASNWLCICLPFJ-TZMCWYRMSA-N
MW292.38 g/mol
LogP0.88
Rot. Bonds2

About [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 129399632) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID129399632
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-14(4-3-9-21-12)15(20)19-7-5-18(6-8-19)13-10-16-17(2)11-13/h10-12,14H,3-9H2,1-2H3/t12-,14-/m1/s1
InChIKeyCBASNWLCICLPFJ-TZMCWYRMSA-N
XLogP0.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (CID 129399632) is [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is CBASNWLCICLPFJ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-14(4-3-9-21-12)15(20)19-7-5-18(6-8-19)13-10-16-17(2)11-13/h10-12,14H,3-9H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129399632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).