(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

C13H18N4O2 — CID 105133531

IUPAC(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cnn(C)c1C
InChIInChI=1S/C13H18N4O2/c1-5-6-17-12(11(19-4)8-15-17)13(18)10-7-14-16(3)9(10)2/h7-8H,5-6H2,1-4H3
InChIKeyUJNZZNPBLMSNSC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.57
Rot. Bonds5

About (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 105133531) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID105133531
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cnn(C)c1C
InChIInChI=1S/C13H18N4O2/c1-5-6-17-12(11(19-4)8-15-17)13(18)10-7-14-16(3)9(10)2/h7-8H,5-6H2,1-4H3
InChIKeyUJNZZNPBLMSNSC-UHFFFAOYSA-N
XLogP1.57
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(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
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
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
CID 114641762
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 105133531) is (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)c1cnn(C)c1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is UJNZZNPBLMSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-5-6-17-12(11(19-4)8-15-17)13(18)10-7-14-16(3)9(10)2/h7-8H,5-6H2,1-4H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 105133531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).