3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole

C20H21N5 — CID 175489562

IUPAC3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
SMILESCC(C)c1cc(-c2cncnc2)n(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H21N5/c1-14(2)19-9-20(16-10-21-13-22-11-16)25(24-19)8-7-15-12-23-18-6-4-3-5-17(15)18/h3-6,9-14,23H,7-8H2,1-2H3
InChIKeyRSYXYHKFQIAMGL-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.19
Rot. Bonds5

About 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole

3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole (PubChem CID 175489562) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
PubChem CID175489562
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
SMILESCC(C)c1cc(-c2cncnc2)n(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H21N5/c1-14(2)19-9-20(16-10-21-13-22-11-16)25(24-19)8-7-15-12-23-18-6-4-3-5-17(15)18/h3-6,9-14,23H,7-8H2,1-2H3
InChIKeyRSYXYHKFQIAMGL-UHFFFAOYSA-N
XLogP4.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole
CID 155211510
3-[2-[3-tert-butyl-5-(5-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-1H-indole
CID 174996746
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate
CID 175264524
6-bromo-2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 67159276
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584562
3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 141222619

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole (CID 175489562) is 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole is CC(C)c1cc(-c2cncnc2)n(CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole?
The InChIKey is RSYXYHKFQIAMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14(2)19-9-20(16-10-21-13-22-11-16)25(24-19)8-7-15-12-23-18-6-4-3-5-17(15)18/h3-6,9-14,23H,7-8H2,1-2H3.
What are the key properties of 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole?
3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole has a molecular weight of 331.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 175489562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).