1-phenyl-4-(1H-pyrazol-4-yl)pyrazole

C12H10N4 — CID 23296382

IUPAC1-phenyl-4-(1H-pyrazol-4-yl)pyrazole
SMILESc1ccc(-n2cc(-c3cn[nH]c3)cn2)cc1
InChIInChI=1S/C12H10N4/c1-2-4-12(5-3-1)16-9-11(8-15-16)10-6-13-14-7-10/h1-9H,(H,13,14)
InChIKeyOCSPSWTXSMEULF-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.26
Rot. Bonds2

About 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole

1-phenyl-4-(1H-pyrazol-4-yl)pyrazole (PubChem CID 23296382) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-phenyl-4-(1H-pyrazol-4-yl)pyrazole
PubChem CID23296382
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1-phenyl-4-(1H-pyrazol-4-yl)pyrazole
SMILESc1ccc(-n2cc(-c3cn[nH]c3)cn2)cc1
InChIInChI=1S/C12H10N4/c1-2-4-12(5-3-1)16-9-11(8-15-16)10-6-13-14-7-10/h1-9H,(H,13,14)
InChIKeyOCSPSWTXSMEULF-UHFFFAOYSA-N
XLogP2.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole?
The IUPAC name of 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole (CID 23296382) is 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole?
The canonical SMILES for 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole is c1ccc(-n2cc(-c3cn[nH]c3)cn2)cc1.
What is the InChIKey of 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole?
The InChIKey is OCSPSWTXSMEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-2-4-12(5-3-1)16-9-11(8-15-16)10-6-13-14-7-10/h1-9H,(H,13,14).
What are the key properties of 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole?
1-phenyl-4-(1H-pyrazol-4-yl)pyrazole has a molecular weight of 210.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1H-pyrazol-4-yl)pyrazole is sourced from PubChem (CID 23296382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).