azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride

C16H21Cl2N3 — CID 175178296

IUPACazane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride
SMILESCC(C)c1ccc(-c2ccc3[nH]ncc3c2)cc1.Cl.Cl.N
InChIInChI=1S/C16H16N2.2ClH.H3N/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16;;;/h3-11H,1-2H3,(H,17,18);2*1H;1H3
InChIKeyCZQKAOXCOSLXEC-UHFFFAOYSA-N
MW326.27 g/mol
LogP5.36
Rot. Bonds2

About azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride

azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride (PubChem CID 175178296) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride.

Molecular Properties

Compound Nameazane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride
PubChem CID175178296
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Nameazane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride
SMILESCC(C)c1ccc(-c2ccc3[nH]ncc3c2)cc1.Cl.Cl.N
InChIInChI=1S/C16H16N2.2ClH.H3N/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16;;;/h3-11H,1-2H3,(H,17,18);2*1H;1H3
InChIKeyCZQKAOXCOSLXEC-UHFFFAOYSA-N
XLogP5.36
TPSA63.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.27
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 820797
4-Methyl-1H-indazole
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5-(3-benzylpyrrolidin-3-yl)-1H-indazole
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(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-(2-methylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 56940801
It-139
CID 25134754
(5-Methyl-1H-indazol-6-yl)boronic acid
CID 44119483
6-Methyl-1H-indazole
CID 12639191
5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indazole
CID 10688762
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11687579

Frequently Asked Questions

What is the IUPAC name of azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride?
The IUPAC name of azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride (CID 175178296) is azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride.
What is the SMILES notation for azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride?
The canonical SMILES for azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride is CC(C)c1ccc(-c2ccc3[nH]ncc3c2)cc1.Cl.Cl.N.
What is the InChIKey of azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride?
The InChIKey is CZQKAOXCOSLXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.2ClH.H3N/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16;;;/h3-11H,1-2H3,(H,17,18);2*1H;1H3.
What are the key properties of azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride?
azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride has a molecular weight of 326.27 g/mol, XLogP of 5.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride is sourced from PubChem (CID 175178296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).