1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one

C17H24N6O2 — CID 120916491

IUPAC1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
SMILESCn1cc(N2CCN(C[C@@H]3CCO[C@H]3c3ccnn3C)CC2=O)cn1
InChIInChI=1S/C17H24N6O2/c1-20-11-14(9-19-20)23-7-6-22(12-16(23)24)10-13-4-8-25-17(13)15-3-5-18-21(15)2/h3,5,9,11,13,17H,4,6-8,10,12H2,1-2H3/t13-,17+/m0/s1
InChIKeyWVDWXRBRXPAAAV-SUMWQHHRSA-N
MW344.42 g/mol
LogP0.58
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one (PubChem CID 120916491) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
PubChem CID120916491
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
SMILESCn1cc(N2CCN(C[C@@H]3CCO[C@H]3c3ccnn3C)CC2=O)cn1
InChIInChI=1S/C17H24N6O2/c1-20-11-14(9-19-20)23-7-6-22(12-16(23)24)10-13-4-8-25-17(13)15-3-5-18-21(15)2/h3,5,9,11,13,17H,4,6-8,10,12H2,1-2H3/t13-,17+/m0/s1
InChIKeyWVDWXRBRXPAAAV-SUMWQHHRSA-N
XLogP0.58
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 154762345
3-[[4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 120916492
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 110009222
4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 97159814
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 100641729
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 167859840
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
CID 75514982
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166226934
4-[(5-fluoro-2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 122138686

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one (CID 120916491) is 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one is Cn1cc(N2CCN(C[C@@H]3CCO[C@H]3c3ccnn3C)CC2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
The InChIKey is WVDWXRBRXPAAAV-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-20-11-14(9-19-20)23-7-6-22(12-16(23)24)10-13-4-8-25-17(13)15-3-5-18-21(15)2/h3,5,9,11,13,17H,4,6-8,10,12H2,1-2H3/t13-,17+/m0/s1.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 120916491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).