(4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone

C18H27ClN6O — CID 72870650

IUPAC(4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCCC(c3nccn3CCN(C)C)C2)c1Cl
InChIInChI=1S/C18H27ClN6O/c1-13-15(19)16(23(4)21-13)18(26)25-8-5-6-14(12-25)17-20-7-9-24(17)11-10-22(2)3/h7,9,14H,5-6,8,10-12H2,1-4H3
InChIKeySANBUWHGGAOSEX-UHFFFAOYSA-N
MW378.91 g/mol
LogP2.16
Rot. Bonds5

About (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone

(4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72870650) has the molecular formula C18H27ClN6O and a molecular weight of 378.91 g/mol. Its IUPAC name is (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72870650
Molecular FormulaC18H27ClN6O
Molecular Weight378.91 g/mol
Exact Mass378.19
IUPAC Name(4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCCC(c3nccn3CCN(C)C)C2)c1Cl
InChIInChI=1S/C18H27ClN6O/c1-13-15(19)16(23(4)21-13)18(26)25-8-5-6-14(12-25)17-20-7-9-24(17)11-10-22(2)3/h7,9,14H,5-6,8,10-12H2,1-4H3
InChIKeySANBUWHGGAOSEX-UHFFFAOYSA-N
XLogP2.16
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]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 (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 72870650) is (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone is Cc1nn(C)c(C(=O)N2CCCC(c3nccn3CCN(C)C)C2)c1Cl.
What is the InChIKey of (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is SANBUWHGGAOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6O/c1-13-15(19)16(23(4)21-13)18(26)25-8-5-6-14(12-25)17-20-7-9-24(17)11-10-22(2)3/h7,9,14H,5-6,8,10-12H2,1-4H3.
What are the key properties of (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
(4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 378.91 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-dimethylpyrazol-5-yl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72870650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).