2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone

C20H20N6O — CID 147339505

IUPAC2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
SMILESO=C(Cc1cnn(CC2CCC2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C20H20N6O/c27-19(6-14-8-23-26(12-14)11-13-2-1-3-13)20-17-5-4-15(7-18(17)24-25-20)16-9-21-22-10-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,21,22)(H,24,25)
InChIKeyDDEVJTZJRJDMRE-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.38
Rot. Bonds6

About 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone

2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone (PubChem CID 147339505) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
PubChem CID147339505
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
SMILESO=C(Cc1cnn(CC2CCC2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C20H20N6O/c27-19(6-14-8-23-26(12-14)11-13-2-1-3-13)20-17-5-4-15(7-18(17)24-25-20)16-9-21-22-10-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,21,22)(H,24,25)
InChIKeyDDEVJTZJRJDMRE-UHFFFAOYSA-N
XLogP3.38
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone with MolForge

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Related Compounds

N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
N-[1-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267318
N-[1-[(1R)-2-hydroxy-2-methyl-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267326
(E)-N'-((1H-indol-3-yl)methylene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135642422
(2-((1H-indazol-6-yl)methylamino)phenyl)(6-methyl-1H-indol-3-yl)methanone
CID 11257497
(1H-Indazol-3-yl)(2-{[(1H-indazol-5-yl)methyl]amino}phenyl)methanone
CID 44577740
(1H-Indazol-3-yl)(2-{[(1H-indazol-6-yl)methyl]amino}phenyl)methanone
CID 44577741
(2-((1H-indazol-6-yl)methylamino)phenyl)(1-methyl-1H-indazol-3-yl)methanone
CID 44577793
(2-{[(1H-Indazol-6-yl)methyl]amino}phenyl)(1H-indol-3-yl)methanone
CID 44577796

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
The IUPAC name of 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone (CID 147339505) is 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
The canonical SMILES for 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone is O=C(Cc1cnn(CC2CCC2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
The InChIKey is DDEVJTZJRJDMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-19(6-14-8-23-26(12-14)11-13-2-1-3-13)20-17-5-4-15(7-18(17)24-25-20)16-9-21-22-10-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,21,22)(H,24,25).
What are the key properties of 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone?
2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone has a molecular weight of 360.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone is sourced from PubChem (CID 147339505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).