5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole

C6H8N4 — CID 123689515

IUPAC5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole
SMILESc1cc(C2=NNCC2)[nH]n1
InChIInChI=1S/C6H8N4/c1-3-7-9-5(1)6-2-4-8-10-6/h1,3,8H,2,4H2,(H,7,9)
InChIKeyYPVDIIRCFWAKHC-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.11
Rot. Bonds1

About 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole

5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole (PubChem CID 123689515) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole
PubChem CID123689515
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole
SMILESc1cc(C2=NNCC2)[nH]n1
InChIInChI=1S/C6H8N4/c1-3-7-9-5(1)6-2-4-8-10-6/h1,3,8H,2,4H2,(H,7,9)
InChIKeyYPVDIIRCFWAKHC-UHFFFAOYSA-N
XLogP0.11
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole?
The IUPAC name of 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole (CID 123689515) is 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole is c1cc(C2=NNCC2)[nH]n1.
What is the InChIKey of 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole?
The InChIKey is YPVDIIRCFWAKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-3-7-9-5(1)6-2-4-8-10-6/h1,3,8H,2,4H2,(H,7,9).
What are the key properties of 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole?
5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole has a molecular weight of 136.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-pyrazol-3-yl)-1H-pyrazole is sourced from PubChem (CID 123689515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).