(1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone

C19H32N4O — CID 91919801

IUPAC(1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2CN2CCC(C)CC2)nn1C
InChIInChI=1S/C19H32N4O/c1-15-8-11-22(12-9-15)14-17-7-5-4-6-10-23(17)19(24)18-13-16(2)21(3)20-18/h13,15,17H,4-12,14H2,1-3H3
InChIKeyHGQIIJWKWXSFKL-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.85
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone (PubChem CID 91919801) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
PubChem CID91919801
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2CN2CCC(C)CC2)nn1C
InChIInChI=1S/C19H32N4O/c1-15-8-11-22(12-9-15)14-17-7-5-4-6-10-23(17)19(24)18-13-16(2)21(3)20-18/h13,15,17H,4-12,14H2,1-3H3
InChIKeyHGQIIJWKWXSFKL-UHFFFAOYSA-N
XLogP2.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-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

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone (CID 91919801) is (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone is Cc1cc(C(=O)N2CCCCCC2CN2CCC(C)CC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
The InChIKey is HGQIIJWKWXSFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15-8-11-22(12-9-15)14-17-7-5-4-6-10-23(17)19(24)18-13-16(2)21(3)20-18/h13,15,17H,4-12,14H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone has a molecular weight of 332.49 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone is sourced from PubChem (CID 91919801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).