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

C13H14FN3O2 — CID 114641960

IUPAC(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1ccncc1F
InChIInChI=1S/C13H14FN3O2/c1-3-6-17-12(11(19-2)8-16-17)13(18)9-4-5-15-7-10(9)14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKWROOKQZDDWWIG-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.07
Rot. Bonds5

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

(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 114641960) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID114641960
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1ccncc1F
InChIInChI=1S/C13H14FN3O2/c1-3-6-17-12(11(19-2)8-16-17)13(18)9-4-5-15-7-10(9)14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKWROOKQZDDWWIG-UHFFFAOYSA-N
XLogP2.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
(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)-pyridin-2-ylmethanone
CID 114638964
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 114641961
2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114639487
(2-amino-4-bromophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114670253
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 103448192
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640154

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 114641960) is (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)c1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is KWROOKQZDDWWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-3-6-17-12(11(19-2)8-16-17)13(18)9-4-5-15-7-10(9)14/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 263.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114641960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).