1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole

C14H22N4 — CID 14872700

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCCn2nc(C)cc2C)n1
InChIInChI=1S/C14H22N4/c1-11-9-13(3)17(15-11)7-5-6-8-18-14(4)10-12(2)16-18/h9-10H,5-8H2,1-4H3
InChIKeyNOUWRCRDHPQWKW-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.79
Rot. Bonds5

About 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole

1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole (PubChem CID 14872700) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole
PubChem CID14872700
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCCn2nc(C)cc2C)n1
InChIInChI=1S/C14H22N4/c1-11-9-13(3)17(15-11)7-5-6-8-18-14(4)10-12(2)16-18/h9-10H,5-8H2,1-4H3
InChIKeyNOUWRCRDHPQWKW-UHFFFAOYSA-N
XLogP2.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole (CID 14872700) is 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole is Cc1cc(C)n(CCCCn2nc(C)cc2C)n1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole?
The InChIKey is NOUWRCRDHPQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-9-13(3)17(15-11)7-5-6-8-18-14(4)10-12(2)16-18/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole?
1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole has a molecular weight of 246.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 14872700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).