5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole

C12H12N2 — CID 1481838

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole
SMILESc1cc(-c2ccc3c(c2)CCC3)[nH]n1
InChIInChI=1S/C12H12N2/c1-2-9-4-5-11(8-10(9)3-1)12-6-7-13-14-12/h4-8H,1-3H2,(H,13,14)
InChIKeyPSGVQFVNFATFMX-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.57
Rot. Bonds1

About 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole

5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole (PubChem CID 1481838) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole
PubChem CID1481838
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole
SMILESc1cc(-c2ccc3c(c2)CCC3)[nH]n1
InChIInChI=1S/C12H12N2/c1-2-9-4-5-11(8-10(9)3-1)12-6-7-13-14-12/h4-8H,1-3H2,(H,13,14)
InChIKeyPSGVQFVNFATFMX-UHFFFAOYSA-N
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole (CID 1481838) is 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole is c1cc(-c2ccc3c(c2)CCC3)[nH]n1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole?
The InChIKey is PSGVQFVNFATFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-9-4-5-11(8-10(9)3-1)12-6-7-13-14-12/h4-8H,1-3H2,(H,13,14).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole?
5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole has a molecular weight of 184.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole is sourced from PubChem (CID 1481838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).