3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole

C12H10N4 — CID 4279179

IUPAC3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccn[nH]3)[nH]n2)cc1
InChIInChI=1S/C12H10N4/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14)(H,15,16)
InChIKeyMWFLBUBUQRTZPW-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.47
Rot. Bonds2

About 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole

3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole (PubChem CID 4279179) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole
PubChem CID4279179
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccn[nH]3)[nH]n2)cc1
InChIInChI=1S/C12H10N4/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14)(H,15,16)
InChIKeyMWFLBUBUQRTZPW-UHFFFAOYSA-N
XLogP2.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole?
The IUPAC name of 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole (CID 4279179) is 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole is c1ccc(-c2cc(-c3ccn[nH]3)[nH]n2)cc1.
What is the InChIKey of 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole?
The InChIKey is MWFLBUBUQRTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14)(H,15,16).
What are the key properties of 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole?
3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole has a molecular weight of 210.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole is sourced from PubChem (CID 4279179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).