[(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C15H24N4O2 — CID 129401181

IUPAC[(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)n[nH]1
InChIInChI=1S/C15H24N4O2/c1-11-10-14(17-16-11)18-5-7-19(8-6-18)15(20)13-4-3-9-21-12(13)2/h10,12-13H,3-9H2,1-2H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyAMMCAUBYRXNBIO-QWHCGFSZSA-N
MW292.38 g/mol
LogP1.18
Rot. Bonds2

About [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

[(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 129401181) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID129401181
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)n[nH]1
InChIInChI=1S/C15H24N4O2/c1-11-10-14(17-16-11)18-5-7-19(8-6-18)15(20)13-4-3-9-21-12(13)2/h10,12-13H,3-9H2,1-2H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyAMMCAUBYRXNBIO-QWHCGFSZSA-N
XLogP1.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 129401181) is [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)n[nH]1.
What is the InChIKey of [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is AMMCAUBYRXNBIO-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-10-14(17-16-11)18-5-7-19(8-6-18)15(20)13-4-3-9-21-12(13)2/h10,12-13H,3-9H2,1-2H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
[(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-methyloxan-3-yl]-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129401181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).