(2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone

C19H25ClN4O — CID 46975329

IUPAC(2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(-n3cccn3)ccc2Cl)CC1
InChIInChI=1S/C19H25ClN4O/c1-3-22(4-2)15-8-12-23(13-9-15)19(25)17-14-16(6-7-18(17)20)24-11-5-10-21-24/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3
InChIKeyLOWAAOMSYCFSAK-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.47
Rot. Bonds5

About (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone

(2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 46975329) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID46975329
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name(2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(-n3cccn3)ccc2Cl)CC1
InChIInChI=1S/C19H25ClN4O/c1-3-22(4-2)15-8-12-23(13-9-15)19(25)17-14-16(6-7-18(17)20)24-11-5-10-21-24/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3
InChIKeyLOWAAOMSYCFSAK-UHFFFAOYSA-N
XLogP3.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-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 (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 46975329) is (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cc(-n3cccn3)ccc2Cl)CC1.
What is the InChIKey of (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is LOWAAOMSYCFSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-3-22(4-2)15-8-12-23(13-9-15)19(25)17-14-16(6-7-18(17)20)24-11-5-10-21-24/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone?
(2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 360.89 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-pyrazol-1-ylphenyl)-[4-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 46975329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).