6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole

C12H19N3 — CID 155782979

IUPAC6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole
SMILESCCC(Cn1ccc2cn[nH]c21)C(C)C
InChIInChI=1S/C12H19N3/c1-4-10(9(2)3)8-15-6-5-11-7-13-14-12(11)15/h5-7,9-10H,4,8H2,1-3H3,(H,13,14)
InChIKeySHQRHGYBJJOERW-UHFFFAOYSA-N
MW205.31 g/mol
LogP3.05
Rot. Bonds4

About 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole

6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole (PubChem CID 155782979) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole
PubChem CID155782979
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole
SMILESCCC(Cn1ccc2cn[nH]c21)C(C)C
InChIInChI=1S/C12H19N3/c1-4-10(9(2)3)8-15-6-5-11-7-13-14-12(11)15/h5-7,9-10H,4,8H2,1-3H3,(H,13,14)
InChIKeySHQRHGYBJJOERW-UHFFFAOYSA-N
XLogP3.05
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole (CID 155782979) is 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole is CCC(Cn1ccc2cn[nH]c21)C(C)C.
What is the InChIKey of 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole?
The InChIKey is SHQRHGYBJJOERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-10(9(2)3)8-15-6-5-11-7-13-14-12(11)15/h5-7,9-10H,4,8H2,1-3H3,(H,13,14).
What are the key properties of 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole?
6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole has a molecular weight of 205.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-3-methylbutyl)-1H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 155782979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).