[5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone

C23H24N4O2 — CID 118138228

IUPAC[5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(C)COc1ccc(-n2ncc(C(=O)c3cc4ccccc4[nH]3)c2N)cc1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)14-29-17-10-8-16(9-11-17)27-22(24)18(13-25-27)21(28)20-12-15-6-4-5-7-19(15)26-20/h4-13,26H,14,24H2,1-3H3
InChIKeyUYGSOCCOKXDKIC-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.59
Rot. Bonds5

About [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 118138228) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID118138228
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(C)COc1ccc(-n2ncc(C(=O)c3cc4ccccc4[nH]3)c2N)cc1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)14-29-17-10-8-16(9-11-17)27-22(24)18(13-25-27)21(28)20-12-15-6-4-5-7-19(15)26-20/h4-13,26H,14,24H2,1-3H3
InChIKeyUYGSOCCOKXDKIC-UHFFFAOYSA-N
XLogP4.59
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 118138228) is [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone is CC(C)(C)COc1ccc(-n2ncc(C(=O)c3cc4ccccc4[nH]3)c2N)cc1.
What is the InChIKey of [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is UYGSOCCOKXDKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-23(2,3)14-29-17-10-8-16(9-11-17)27-22(24)18(13-25-27)21(28)20-12-15-6-4-5-7-19(15)26-20/h4-13,26H,14,24H2,1-3H3.
What are the key properties of [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 118138228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).