(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone

C13H15N3O2 — CID 114638964

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
SMILESCCCn1ncc(OC)c1C(=O)c1ccccn1
InChIInChI=1S/C13H15N3O2/c1-3-8-16-12(11(18-2)9-15-16)13(17)10-6-4-5-7-14-10/h4-7,9H,3,8H2,1-2H3
InChIKeyMXRCSGUTLWKXRE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.93
Rot. Bonds5

About (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone

(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone (PubChem CID 114638964) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
PubChem CID114638964
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
SMILESCCCn1ncc(OC)c1C(=O)c1ccccn1
InChIInChI=1S/C13H15N3O2/c1-3-8-16-12(11(18-2)9-15-16)13(17)10-6-4-5-7-14-10/h4-7,9H,3,8H2,1-2H3
InChIKeyMXRCSGUTLWKXRE-UHFFFAOYSA-N
XLogP1.93
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640154
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
CID 114641762
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
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114639487
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone (CID 114638964) is (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone is CCCn1ncc(OC)c1C(=O)c1ccccn1.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone?
The InChIKey is MXRCSGUTLWKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-8-16-12(11(18-2)9-15-16)13(17)10-6-4-5-7-14-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone?
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 1.93, 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)-pyridin-2-ylmethanone is sourced from PubChem (CID 114638964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).