1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole

C13H20N4 — CID 14872699

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCn2nc(C)cc2C)n1
InChIInChI=1S/C13H20N4/c1-10-8-12(3)16(14-10)6-5-7-17-13(4)9-11(2)15-17/h8-9H,5-7H2,1-4H3
InChIKeyBICYDMYVWWPELI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.40
Rot. Bonds4

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole (PubChem CID 14872699) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole
PubChem CID14872699
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCn2nc(C)cc2C)n1
InChIInChI=1S/C13H20N4/c1-10-8-12(3)16(14-10)6-5-7-17-13(4)9-11(2)15-17/h8-9H,5-7H2,1-4H3
InChIKeyBICYDMYVWWPELI-UHFFFAOYSA-N
XLogP2.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole (CID 14872699) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole is Cc1cc(C)n(CCCn2nc(C)cc2C)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole?
The InChIKey is BICYDMYVWWPELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-8-12(3)16(14-10)6-5-7-17-13(4)9-11(2)15-17/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole has a molecular weight of 232.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 14872699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).