(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone

C20H27N3O2 — CID 70752342

IUPAC(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCCCn1cc(C(=O)N2CCC(OCc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C20H27N3O2/c1-3-11-23-14-19(16(2)21-23)20(24)22-12-9-18(10-13-22)25-15-17-7-5-4-6-8-17/h4-8,14,18H,3,9-13,15H2,1-2H3
InChIKeyWZKVYNBHPBQLRJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.42
Rot. Bonds6

About (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone

(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 70752342) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID70752342
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCCCn1cc(C(=O)N2CCC(OCc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C20H27N3O2/c1-3-11-23-14-19(16(2)21-23)20(24)22-12-9-18(10-13-22)25-15-17-7-5-4-6-8-17/h4-8,14,18H,3,9-13,15H2,1-2H3
InChIKeyWZKVYNBHPBQLRJ-UHFFFAOYSA-N
XLogP3.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-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

(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56807408
(3-methyl-1-propylpyrazol-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 72864146
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460519
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
4-[(3S)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205330
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
(3S,4R)-4-(2-methylphenyl)-1-(3-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 70712849
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone (CID 70752342) is (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone is CCCn1cc(C(=O)N2CCC(OCc3ccccc3)CC2)c(C)n1.
What is the InChIKey of (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is WZKVYNBHPBQLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-11-23-14-19(16(2)21-23)20(24)22-12-9-18(10-13-22)25-15-17-7-5-4-6-8-17/h4-8,14,18H,3,9-13,15H2,1-2H3.
What are the key properties of (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 70752342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).