[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone

C16H23N3O2 — CID 71931424

IUPAC[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone
SMILESC=CCOC1CCN(C(=O)C2CC2c2cnn(C)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-8-21-13-4-6-19(7-5-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3
InChIKeyLYGICGIAIFCZQO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.72
Rot. Bonds5

About [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone

[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone (PubChem CID 71931424) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone
PubChem CID71931424
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone
SMILESC=CCOC1CCN(C(=O)C2CC2c2cnn(C)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-8-21-13-4-6-19(7-5-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3
InChIKeyLYGICGIAIFCZQO-UHFFFAOYSA-N
XLogP1.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)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

[2-(1-Methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25196905
(3R*,4R*)-3-methyl-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72845002
3-(1-Methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one
CID 71931430
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97202138
[2-(1-Methylpyrazol-4-yl)cyclopropyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 56194327
1-[4-(1-ethyl-1H-pyrazol-4-yl)piperidin-1-yl]-3-hydroxy-5,5-dimethylhexan-1-one
CID 126808920
(1R,2R)-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 126812585
[(1S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 57618990
trans-(4-isopropylpiperazin-1-yl)(2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanone
CID 66690790
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 89847753
[(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 143766493
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 51698953

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone (CID 71931424) is [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone is C=CCOC1CCN(C(=O)C2CC2c2cnn(C)c2)CC1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone?
The InChIKey is LYGICGIAIFCZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-8-21-13-4-6-19(7-5-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone?
[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-prop-2-enoxypiperidin-1-yl)methanone is sourced from PubChem (CID 71931424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).