(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone

C16H14ClN3O — CID 105130976

IUPAC(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H14ClN3O/c1-2-9-20-15(13(17)10-19-20)16(21)12-7-8-18-14-6-4-3-5-11(12)14/h3-8,10H,2,9H2,1H3
InChIKeyMLUVNAXGIZEMJR-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.73
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone

(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone (PubChem CID 105130976) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone
PubChem CID105130976
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H14ClN3O/c1-2-9-20-15(13(17)10-19-20)16(21)12-7-8-18-14-6-4-3-5-11(12)14/h3-8,10H,2,9H2,1H3
InChIKeyMLUVNAXGIZEMJR-UHFFFAOYSA-N
XLogP3.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125383
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
(4-propylphenyl)-quinolin-4-ylmethanone
CID 86811157

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone (CID 105130976) is (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone is CCCn1ncc(Cl)c1C(=O)c1ccnc2ccccc12.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone?
The InChIKey is MLUVNAXGIZEMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-2-9-20-15(13(17)10-19-20)16(21)12-7-8-18-14-6-4-3-5-11(12)14/h3-8,10H,2,9H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone?
(4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone has a molecular weight of 299.76 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-quinolin-4-ylmethanone is sourced from PubChem (CID 105130976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).