1-(2-pyrazol-1-ylethyl)indazol-3-amine

C12H13N5 — CID 62687152

IUPAC1-(2-pyrazol-1-ylethyl)indazol-3-amine
SMILESNc1nn(CCn2cccn2)c2ccccc12
InChIInChI=1S/C12H13N5/c13-12-10-4-1-2-5-11(10)17(15-12)9-8-16-7-3-6-14-16/h1-7H,8-9H2,(H2,13,15)
InChIKeyVCXBZKSYRHXLSA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(2-pyrazol-1-ylethyl)indazol-3-amine

1-(2-pyrazol-1-ylethyl)indazol-3-amine (PubChem CID 62687152) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)indazol-3-amine.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)indazol-3-amine
PubChem CID62687152
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-(2-pyrazol-1-ylethyl)indazol-3-amine
SMILESNc1nn(CCn2cccn2)c2ccccc12
InChIInChI=1S/C12H13N5/c13-12-10-4-1-2-5-11(10)17(15-12)9-8-16-7-3-6-14-16/h1-7H,8-9H2,(H2,13,15)
InChIKeyVCXBZKSYRHXLSA-UHFFFAOYSA-N
XLogP1.52
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)indazol-3-amine?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)indazol-3-amine (CID 62687152) is 1-(2-pyrazol-1-ylethyl)indazol-3-amine.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)indazol-3-amine?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)indazol-3-amine is Nc1nn(CCn2cccn2)c2ccccc12.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)indazol-3-amine?
The InChIKey is VCXBZKSYRHXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-12-10-4-1-2-5-11(10)17(15-12)9-8-16-7-3-6-14-16/h1-7H,8-9H2,(H2,13,15).
What are the key properties of 1-(2-pyrazol-1-ylethyl)indazol-3-amine?
1-(2-pyrazol-1-ylethyl)indazol-3-amine has a molecular weight of 227.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)indazol-3-amine is sourced from PubChem (CID 62687152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).