(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone

C15H12ClN3O — CID 105132581

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)c2c(Cl)cnn2C)c2ccccc2n1
InChIInChI=1S/C15H12ClN3O/c1-9-7-11(10-5-3-4-6-13(10)18-9)15(20)14-12(16)8-17-19(14)2/h3-8H,1-2H3
InChIKeyGKDXWRDHCBFPEE-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.16
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone (PubChem CID 105132581) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
PubChem CID105132581
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)c2c(Cl)cnn2C)c2ccccc2n1
InChIInChI=1S/C15H12ClN3O/c1-9-7-11(10-5-3-4-6-13(10)18-9)15(20)14-12(16)8-17-19(14)2/h3-8H,1-2H3
InChIKeyGKDXWRDHCBFPEE-UHFFFAOYSA-N
XLogP3.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
CID 105083333
(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 107984639
(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone
CID 105095171
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
CID 105132628
(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 115809410
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
1-(2-methylquinolin-4-yl)prop-2-yn-1-one
CID 105108238
(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone
CID 105130976
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
CID 105132583
(3-amino-1,2,4-triazol-1-yl)-(2-methylquinolin-4-yl)methanone
CID 110485308

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone (CID 105132581) is (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)c2c(Cl)cnn2C)c2ccccc2n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone?
The InChIKey is GKDXWRDHCBFPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-7-11(10-5-3-4-6-13(10)18-9)15(20)14-12(16)8-17-19(14)2/h3-8H,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone has a molecular weight of 285.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 105132581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).