[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C16H26N4O2 — CID 97124144

IUPAC[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-2-4-13-11-15(18-17-13)16(21)20-8-6-19(7-9-20)12-14-5-3-10-22-14/h11,14H,2-10,12H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyNIPRHDODPIXVDG-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds5

About [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 97124144) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID97124144
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-2-4-13-11-15(18-17-13)16(21)20-8-6-19(7-9-20)12-14-5-3-10-22-14/h11,14H,2-10,12H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyNIPRHDODPIXVDG-AWEZNQCLSA-N
XLogP1.30
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone with MolForge

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Related Compounds

[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 78968015
4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239685
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70737317
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818111
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683
(5-bromothiophen-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60739680
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026
(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70780966

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 97124144) is [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n[nH]1.
What is the InChIKey of [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is NIPRHDODPIXVDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-4-13-11-15(18-17-13)16(21)20-8-6-19(7-9-20)12-14-5-3-10-22-14/h11,14H,2-10,12H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 97124144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).