(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone

C14H17N3O2 — CID 114877609

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cnccc1C
InChIInChI=1S/C14H17N3O2/c1-4-7-17-13(12(19-3)9-16-17)14(18)11-8-15-6-5-10(11)2/h5-6,8-9H,4,7H2,1-3H3
InChIKeyVHIAXQOJMNECMP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds5

About (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone

(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 114877609) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID114877609
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cnccc1C
InChIInChI=1S/C14H17N3O2/c1-4-7-17-13(12(19-3)9-16-17)14(18)11-8-15-6-5-10(11)2/h5-6,8-9H,4,7H2,1-3H3
InChIKeyVHIAXQOJMNECMP-UHFFFAOYSA-N
XLogP2.24
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640154
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
(2-amino-4-bromophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114670253
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 103448192

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone (CID 114877609) is (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone is CCCn1ncc(OC)c1C(=O)c1cnccc1C.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is VHIAXQOJMNECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-7-17-13(12(19-3)9-16-17)14(18)11-8-15-6-5-10(11)2/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 259.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114877609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).