[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone

C17H26N4O2 — CID 136584830

IUPAC[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
SMILESCn1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-19-12-14(11-18-19)20-4-6-21(7-5-20)17(22)16-10-15(16)13-2-8-23-9-3-13/h11-13,15-16H,2-10H2,1H3/t15-,16+/m0/s1
InChIKeyUWBFCGDQXAMKIQ-JKSUJKDBSA-N
MW318.42 g/mol
LogP1.13
Rot. Bonds3

About [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone

[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone (PubChem CID 136584830) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
PubChem CID136584830
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
SMILESCn1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-19-12-14(11-18-19)20-4-6-21(7-5-20)17(22)16-10-15(16)13-2-8-23-9-3-13/h11-13,15-16H,2-10H2,1H3/t15-,16+/m0/s1
InChIKeyUWBFCGDQXAMKIQ-JKSUJKDBSA-N
XLogP1.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 129399632
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
CID 136584835
[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 124696422
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119887289
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 128985019
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
2-[1-(2-cyclopropylcyclopropanecarbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393459
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
CID 119887294

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone (CID 136584830) is [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone is Cn1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
The InChIKey is UWBFCGDQXAMKIQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-12-14(11-18-19)20-4-6-21(7-5-20)17(22)16-10-15(16)13-2-8-23-9-3-13/h11-13,15-16H,2-10H2,1H3/t15-,16+/m0/s1.
What are the key properties of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone?
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 136584830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).