(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone

C13H21N3O2 — CID 114284479

IUPAC(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OC)CCNCC1
InChIInChI=1S/C13H21N3O2/c1-3-10-16-11(4-7-15-16)12(17)13(18-2)5-8-14-9-6-13/h4,7,14H,3,5-6,8-10H2,1-2H3
InChIKeyUJTLFYUTSXFIMZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds5

About (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone

(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 114284479) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
PubChem CID114284479
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OC)CCNCC1
InChIInChI=1S/C13H21N3O2/c1-3-10-16-11(4-7-15-16)12(17)13(18-2)5-8-14-9-6-13/h4,7,14H,3,5-6,8-10H2,1-2H3
InChIKeyUJTLFYUTSXFIMZ-UHFFFAOYSA-N
XLogP1.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-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-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116750146
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 116580459
(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanone
CID 63975501
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
4-(2-propylpyrazol-3-yl)piperidin-4-ol
CID 63976094
2-propylpyrazole-3-carboxylic acid
CID 7017775

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone (CID 114284479) is (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1(OC)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is UJTLFYUTSXFIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10-16-11(4-7-15-16)12(17)13(18-2)5-8-14-9-6-13/h4,7,14H,3,5-6,8-10H2,1-2H3.
What are the key properties of (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone?
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 114284479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).