1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole

C15H16N4 — CID 58620949

IUPAC1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole
SMILESCCCc1cc(-n2cccn2)nn1-c1ccccc1
InChIInChI=1S/C15H16N4/c1-2-7-14-12-15(18-11-6-10-16-18)17-19(14)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3
InChIKeyMWVYVQAFNPMXKK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.01
Rot. Bonds4

About 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole

1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole (PubChem CID 58620949) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole.

Molecular Properties

Compound Name1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole
PubChem CID58620949
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole
SMILESCCCc1cc(-n2cccn2)nn1-c1ccccc1
InChIInChI=1S/C15H16N4/c1-2-7-14-12-15(18-11-6-10-16-18)17-19(14)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3
InChIKeyMWVYVQAFNPMXKK-UHFFFAOYSA-N
XLogP3.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole?
The IUPAC name of 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole (CID 58620949) is 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole.
What is the SMILES notation for 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole?
The canonical SMILES for 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole is CCCc1cc(-n2cccn2)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole?
The InChIKey is MWVYVQAFNPMXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-7-14-12-15(18-11-6-10-16-18)17-19(14)13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3.
What are the key properties of 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole?
1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole has a molecular weight of 252.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propyl-3-pyrazol-1-ylpyrazole is sourced from PubChem (CID 58620949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).