1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole

C15H16N4 — CID 59810832

IUPAC1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole
SMILESCCc1nn(C2CC2)c2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C15H16N4/c1-2-13-12-6-3-10(14-7-8-16-17-14)9-15(12)19(18-13)11-4-5-11/h3,6-9,11H,2,4-5H2,1H3,(H,16,17)
InChIKeyUEIJLBNGAGBWAJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.32
Rot. Bonds3

About 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole

1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole (PubChem CID 59810832) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole
PubChem CID59810832
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole
SMILESCCc1nn(C2CC2)c2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C15H16N4/c1-2-13-12-6-3-10(14-7-8-16-17-14)9-15(12)19(18-13)11-4-5-11/h3,6-9,11H,2,4-5H2,1H3,(H,16,17)
InChIKeyUEIJLBNGAGBWAJ-UHFFFAOYSA-N
XLogP3.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole?
The IUPAC name of 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole (CID 59810832) is 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole?
The canonical SMILES for 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole is CCc1nn(C2CC2)c2cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole?
The InChIKey is UEIJLBNGAGBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-13-12-6-3-10(14-7-8-16-17-14)9-15(12)19(18-13)11-4-5-11/h3,6-9,11H,2,4-5H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole?
1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole has a molecular weight of 252.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole is sourced from PubChem (CID 59810832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).