1H-indazol-7-yl(pyrrolidin-1-yl)methanone

C12H13N3O — CID 24659889

IUPAC1H-indazol-7-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCC1
InChIInChI=1S/C12H13N3O/c16-12(15-6-1-2-7-15)10-5-3-4-9-8-13-14-11(9)10/h3-5,8H,1-2,6-7H2,(H,13,14)
InChIKeyYBWMSDXQSZFVHI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.80
Rot. Bonds1

About 1H-indazol-7-yl(pyrrolidin-1-yl)methanone

1H-indazol-7-yl(pyrrolidin-1-yl)methanone (PubChem CID 24659889) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1H-indazol-7-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-7-yl(pyrrolidin-1-yl)methanone
PubChem CID24659889
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1H-indazol-7-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCCC1
InChIInChI=1S/C12H13N3O/c16-12(15-6-1-2-7-15)10-5-3-4-9-8-13-14-11(9)10/h3-5,8H,1-2,6-7H2,(H,13,14)
InChIKeyYBWMSDXQSZFVHI-UHFFFAOYSA-N
XLogP1.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 1H-indazol-7-yl(pyrrolidin-1-yl)methanone (CID 24659889) is 1H-indazol-7-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-7-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-indazol-7-yl(pyrrolidin-1-yl)methanone is O=C(c1cccc2cn[nH]c12)N1CCCC1.
What is the InChIKey of 1H-indazol-7-yl(pyrrolidin-1-yl)methanone?
The InChIKey is YBWMSDXQSZFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(15-6-1-2-7-15)10-5-3-4-9-8-13-14-11(9)10/h3-5,8H,1-2,6-7H2,(H,13,14).
What are the key properties of 1H-indazol-7-yl(pyrrolidin-1-yl)methanone?
1H-indazol-7-yl(pyrrolidin-1-yl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 24659889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).