(4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C15H16ClN3O — CID 1225806

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2CCCc3ccccc32)nn1C
InChIInChI=1S/C15H16ClN3O/c1-10-13(16)14(17-18(10)2)15(20)19-9-5-7-11-6-3-4-8-12(11)19/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeyMFSUBTQDDIDIBC-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.97
Rot. Bonds1

About (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1225806) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1225806
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2CCCc3ccccc32)nn1C
InChIInChI=1S/C15H16ClN3O/c1-10-13(16)14(17-18(10)2)15(20)19-9-5-7-11-6-3-4-8-12(11)19/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeyMFSUBTQDDIDIBC-UHFFFAOYSA-N
XLogP2.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-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-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1225806) is (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1c(Cl)c(C(=O)N2CCCc3ccccc32)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is MFSUBTQDDIDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-13(16)14(17-18(10)2)15(20)19-9-5-7-11-6-3-4-8-12(11)19/h3-4,6,8H,5,7,9H2,1-2H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 289.77 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1225806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).