(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone

C16H15N3O — CID 63222879

IUPAC(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone
SMILESCCCn1cc(C(=O)c2ccc3ccccc3n2)cn1
InChIInChI=1S/C16H15N3O/c1-2-9-19-11-13(10-17-19)16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,10-11H,2,9H2,1H3
InChIKeyWIRICXQWAZRWCK-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.07
Rot. Bonds4

About (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone

(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone (PubChem CID 63222879) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone
PubChem CID63222879
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone
SMILESCCCn1cc(C(=O)c2ccc3ccccc3n2)cn1
InChIInChI=1S/C16H15N3O/c1-2-9-19-11-13(10-17-19)16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,10-11H,2,9H2,1H3
InChIKeyWIRICXQWAZRWCK-UHFFFAOYSA-N
XLogP3.07
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone
CID 63222880
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
1-quinolin-2-ylbutan-1-one
CID 14895778
(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
CID 105082119
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
(4-bromo-1-propan-2-ylpyrazol-5-yl)-quinolin-2-ylmethanone
CID 114640099

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone?
The IUPAC name of (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone (CID 63222879) is (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone is CCCn1cc(C(=O)c2ccc3ccccc3n2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone?
The InChIKey is WIRICXQWAZRWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-9-19-11-13(10-17-19)16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,10-11H,2,9H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone?
(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone has a molecular weight of 265.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 63222879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).