4-phenyl-6-propan-2-yl-1H-indazole

C16H16N2 — CID 127047212

IUPAC4-phenyl-6-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C16H16N2/c1-11(2)13-8-14(12-6-4-3-5-7-12)15-10-17-18-16(15)9-13/h3-11H,1-2H3,(H,17,18)
InChIKeyKEKIZDKQHXXAEP-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.35
Rot. Bonds2

About 4-phenyl-6-propan-2-yl-1H-indazole

4-phenyl-6-propan-2-yl-1H-indazole (PubChem CID 127047212) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-phenyl-6-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name4-phenyl-6-propan-2-yl-1H-indazole
PubChem CID127047212
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-phenyl-6-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C16H16N2/c1-11(2)13-8-14(12-6-4-3-5-7-12)15-10-17-18-16(15)9-13/h3-11H,1-2H3,(H,17,18)
InChIKeyKEKIZDKQHXXAEP-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Indazol-5-amine
CID 88012
1H-Indazole
CID 9221
5-benzhydryl-1H-pyrazole
CID 2806015
6-(trifluoromethyl)-1H-indazole
CID 21455599
7-Methyl-1H-indazole
CID 820797
4-Methyl-1H-indazole
CID 820806
3-(naphthalen-1-yl)-1H-pyrazole
CID 2737035
5-(3-benzylpyrrolidin-3-yl)-1H-indazole
CID 44231144
(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-(2-methylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 56940801
(E)-3-[4-[(E)-1-(1H-indazol-4-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66800328
6-Methyl-1H-indazole
CID 12639191
6-methyl-1H-indazol-7-amine
CID 1480035

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-propan-2-yl-1H-indazole?
The IUPAC name of 4-phenyl-6-propan-2-yl-1H-indazole (CID 127047212) is 4-phenyl-6-propan-2-yl-1H-indazole.
What is the SMILES notation for 4-phenyl-6-propan-2-yl-1H-indazole?
The canonical SMILES for 4-phenyl-6-propan-2-yl-1H-indazole is CC(C)c1cc(-c2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of 4-phenyl-6-propan-2-yl-1H-indazole?
The InChIKey is KEKIZDKQHXXAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11(2)13-8-14(12-6-4-3-5-7-12)15-10-17-18-16(15)9-13/h3-11H,1-2H3,(H,17,18).
What are the key properties of 4-phenyl-6-propan-2-yl-1H-indazole?
4-phenyl-6-propan-2-yl-1H-indazole has a molecular weight of 236.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-propan-2-yl-1H-indazole is sourced from PubChem (CID 127047212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).