(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone

C13H21N3O — CID 103133140

IUPAC(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2ccn(C)n2)CCNCC1
InChIInChI=1S/C13H21N3O/c1-3-5-13(6-8-14-9-7-13)12(17)11-4-10-16(2)15-11/h4,10,14H,3,5-9H2,1-2H3
InChIKeyQOIKUKLWPWUBNM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds4

About (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone

(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 103133140) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone
PubChem CID103133140
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2ccn(C)n2)CCNCC1
InChIInChI=1S/C13H21N3O/c1-3-5-13(6-8-14-9-7-13)12(17)11-4-10-16(2)15-11/h4,10,14H,3,5-9H2,1-2H3
InChIKeyQOIKUKLWPWUBNM-UHFFFAOYSA-N
XLogP1.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-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-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 103121074
(1-propylimidazol-2-yl)-(4-propylpiperidin-4-yl)methanone
CID 116569222
furan-3-yl-(4-propylpiperidin-4-yl)methanone
CID 116569278
(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
CID 114669166
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 114692008
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
[1-(dimethylamino)cyclopentyl]-(1-methylpyrazol-3-yl)methanone
CID 103130453
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357
4-(methoxymethyl)-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 120618740
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone (CID 103133140) is (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)c2ccn(C)n2)CCNCC1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is QOIKUKLWPWUBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-13(6-8-14-9-7-13)12(17)11-4-10-16(2)15-11/h4,10,14H,3,5-9H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone?
(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 103133140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).