[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone

C18H32N4O2 — CID 46957093

IUPAC[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CCOC(C)C)CC2)n(C)n1
InChIInChI=1S/C18H32N4O2/c1-14(2)12-16-13-17(20(5)19-16)18(23)22-8-6-21(7-9-22)10-11-24-15(3)4/h13-15H,6-12H2,1-5H3
InChIKeyWLIIUDJOWAYTSX-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.80
Rot. Bonds7

About [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 46957093) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
PubChem CID46957093
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CCOC(C)C)CC2)n(C)n1
InChIInChI=1S/C18H32N4O2/c1-14(2)12-16-13-17(20(5)19-16)18(23)22-8-6-21(7-9-22)10-11-24-15(3)4/h13-15H,6-12H2,1-5H3
InChIKeyWLIIUDJOWAYTSX-UHFFFAOYSA-N
XLogP1.80
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-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

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 50963218
[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 133138619
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66120304
[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 92579221
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 46957153
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
(6-benzyl-13-bromo-2,6,9-triazabicyclo[9.4.0]pentadeca-1(11),12,14-trien-9-yl)-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110063827
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 166622260
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
(3R,4S)-4-hydroxy-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 163315681
(2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
CID 126861737

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone (CID 46957093) is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCN(CCOC(C)C)CC2)n(C)n1.
What is the InChIKey of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is WLIIUDJOWAYTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14(2)12-16-13-17(20(5)19-16)18(23)22-8-6-21(7-9-22)10-11-24-15(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 336.48 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46957093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).