2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole

C10H14N4 — CID 68504611

IUPAC2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole
SMILESC1=CCC2CNNC2=C1.c1cn[nH]c1
InChIInChI=1S/C7H10N2.C3H4N2/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-5-3-1/h1-2,4,6,8-9H,3,5H2;1-3H,(H,4,5)
InChIKeyVDKJLFPGSXBFRZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole

2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole (PubChem CID 68504611) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole
PubChem CID68504611
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole
SMILESC1=CCC2CNNC2=C1.c1cn[nH]c1
InChIInChI=1S/C7H10N2.C3H4N2/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-5-3-1/h1-2,4,6,8-9H,3,5H2;1-3H,(H,4,5)
InChIKeyVDKJLFPGSXBFRZ-UHFFFAOYSA-N
XLogP0.96
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole (CID 68504611) is 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole is C1=CCC2CNNC2=C1.c1cn[nH]c1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole?
The InChIKey is VDKJLFPGSXBFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C3H4N2/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-5-3-1/h1-2,4,6,8-9H,3,5H2;1-3H,(H,4,5).
What are the key properties of 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole?
2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole has a molecular weight of 190.25 g/mol, XLogP of 0.96, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indazole;1H-pyrazole is sourced from PubChem (CID 68504611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).